N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2R)-5-oxooxolane-2-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2S)-5-oxooxolane-2-carboxylate

C121H117N27O32 — CID 158171192

About N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2R)-5-oxooxolane-2-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2S)-5-oxooxolane-2-carboxylate

N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2R)-5-oxooxolane-2-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2S)-5-oxooxolane-2-carboxylate (PubChem CID 158171192) has the molecular formula C121H117N27O32 and a molecular weight of 2461.42 g/mol. Its IUPAC name is N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2R)-5-oxooxolane-2-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2S)-5-oxooxolane-2-carboxylate.

Molecular Properties

• Compound Name: N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2R)-5-oxooxolane-2-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2S)-5-oxooxolane-2-carboxylate
• PubChem CID: 158171192
• Molecular Formula: C121H117N27O32
• Molecular Weight: 2461.42 g/mol
• Exact Mass: 2459.84
• IUPAC Name: N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2R)-5-oxooxolane-2-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2S)-5-oxooxolane-2-carboxylate
• SMILES: C=CC(=O)CCCOc1ccc2c3n(/c(=N/C(=O)c4cccnc4)nc2c1OC)CCN3.COc1c(OCCOC(=O)N2CC3C[C@@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCOC(=O)N2C[C@@H]3C[C@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCOC(=O)[C@@H]2CCC(=O)O2)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCOC(=O)[C@H]2CCC(=O)O2)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3
• InChI: InChI=1S/2C25H24N6O7.2C24H23N5O7.C23H23N5O4/c2*1-35-20-18(36-9-10-37-25(34)31-13-15-11-17(31)23(33)38-15)5-4-16-19(20)28-24(30-8-7-27-21(16)30)29-22(32)14-3-2-6-26-12-14;2*1-33-20-16(34-11-12-35-23(32)17-6-7-18(30)36-17)5-4-15-19(20)27-24(29-10-9-26-21(15)29)28-22(31)14-3-2-8-25-13-14;1-3-16(29)7-5-13-32-18-9-8-17-19(20(18)31-2)26-23(28-12-11-25-21(17)28)27-22(30)15-6-4-10-24-14-15/h2*2-6,12,15,17,27H,7-11,13H2,1H3;2*2-5,8,13,17,26H,6-7,9-12H2,1H3;3-4,6,8-10,14,25H,1,5,7,11-13H2,2H3/b2*29-24+;2*28-24+;27-23+/t15?,17-;15-,17-;2*17-;/m1010./s1
• InChIKey: ORGKUKIBENUFKB-OGJZFLKESA-N
• XLogP: 7.23
• TPSA: 687.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 52
• Rotatable Bonds: 34
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2461.42
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2R)-5-oxooxolane-2-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2S)-5-oxooxolane-2-carboxylate?

The IUPAC name of N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2R)-5-oxooxolane-2-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2S)-5-oxooxolane-2-carboxylate (CID 158171192) is N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2R)-5-oxooxolane-2-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2S)-5-oxooxolane-2-carboxylate.

What is the SMILES notation for N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2R)-5-oxooxolane-2-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2S)-5-oxooxolane-2-carboxylate?

The canonical SMILES for N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2R)-5-oxooxolane-2-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2S)-5-oxooxolane-2-carboxylate is C=CC(=O)CCCOc1ccc2c3n(/c(=N/C(=O)c4cccnc4)nc2c1OC)CCN3.COc1c(OCCOC(=O)N2CC3C[C@@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCOC(=O)N2C[C@@H]3C[C@H]2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCOC(=O)[C@@H]2CCC(=O)O2)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1c(OCCOC(=O)[C@H]2CCC(=O)O2)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.

What is the InChIKey of N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2R)-5-oxooxolane-2-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2S)-5-oxooxolane-2-carboxylate?

The InChIKey is ORGKUKIBENUFKB-OGJZFLKESA-N. The full InChI is InChI=1S/2C25H24N6O7.2C24H23N5O7.C23H23N5O4/c2*1-35-20-18(36-9-10-37-25(34)31-13-15-11-17(31)23(33)38-15)5-4-16-19(20)28-24(30-8-7-27-21(16)30)29-22(32)14-3-2-6-26-12-14;2*1-33-20-16(34-11-12-35-23(32)17-6-7-18(30)36-17)5-4-15-19(20)27-24(29-10-9-26-21(15)29)28-22(31)14-3-2-8-25-13-14;1-3-16(29)7-5-13-32-18-9-8-17-19(20(18)31-2)26-23(28-12-11-25-21(17)28)27-22(30)15-6-4-10-24-14-15/h2*2-6,12,15,17,27H,7-11,13H2,1H3;2*2-5,8,13,17,26H,6-7,9-12H2,1H3;3-4,6,8-10,14,25H,1,5,7,11-13H2,2H3/b2*29-24+;2*28-24+;27-23+/t15?,17-;15-,17-;2*17-;/m1010./s1.

What are the key properties of N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2R)-5-oxooxolane-2-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2S)-5-oxooxolane-2-carboxylate?

N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2R)-5-oxooxolane-2-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2S)-5-oxooxolane-2-carboxylate has a molecular weight of 2461.42 g/mol, XLogP of 7.23, 34 rotatable bonds, 5 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-methoxy-8-(4-oxohex-5-enoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (4R)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2R)-5-oxooxolane-2-carboxylate;2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl (2S)-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 158171192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).