2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate

C25H24N6O7 — CID 137095115

IUPAC2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
SMILESCOc1c(OCCOC(=O)N2CC3CC2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3
InChIInChI=1S/C25H24N6O7/c1-35-20-18(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/h2-6,12,15,17,27H,7-11,13H2,1H3/b29-24+
InChIKeyRNRISMCTYZRLCT-RMLRFSFXSA-N
MW520.50 g/mol
LogP1.12
Rot. Bonds6

About 2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl 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 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate (PubChem CID 137095115) has the molecular formula C25H24N6O7 and a molecular weight of 520.50 g/mol. Its IUPAC name is 2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate.

Molecular Properties

Compound Name2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
PubChem CID137095115
Molecular FormulaC25H24N6O7
Molecular Weight520.50 g/mol
Exact Mass520.17
IUPAC Name2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
SMILESCOc1c(OCCOC(=O)N2CC3CC2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3
InChIInChI=1S/C25H24N6O7/c1-35-20-18(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/h2-6,12,15,17,27H,7-11,13H2,1H3/b29-24+
InChIKeyRNRISMCTYZRLCT-RMLRFSFXSA-N
XLogP1.12
TPSA146.47 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.50
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate?
The IUPAC name of 2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate (CID 137095115) is 2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate.
What is the SMILES notation for 2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate?
The canonical SMILES for 2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate is COc1c(OCCOC(=O)N2CC3CC2C(=O)O3)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.
What is the InChIKey of 2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate?
The InChIKey is RNRISMCTYZRLCT-RMLRFSFXSA-N. The full InChI is InChI=1S/C25H24N6O7/c1-35-20-18(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/h2-6,12,15,17,27H,7-11,13H2,1H3/b29-24+.
What are the key properties of 2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl 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 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate has a molecular weight of 520.50 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-methoxy-5-(pyridine-3-carbonylimino)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-8-yl]oxy]ethyl 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate is sourced from PubChem (CID 137095115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).