N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;7-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;6-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;N-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide

C95H112F2N12O11 — CID 158087887

About N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;7-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;6-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;N-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide

N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;7-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;6-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;N-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide (PubChem CID 158087887) has the molecular formula C95H112F2N12O11 and a molecular weight of 1636.01 g/mol. Its IUPAC name is N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;7-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;6-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;N-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide.

Molecular Properties

• Compound Name: N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;7-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;6-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;N-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide
• PubChem CID: 158087887
• Molecular Formula: C95H112F2N12O11
• Molecular Weight: 1636.01 g/mol
• Exact Mass: 1634.85
• IUPAC Name: N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;7-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;6-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;N-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide
• SMILES: C=C1Cc2ccc(F)c(C(=O)NCCCN3CCCc4ccc(OC)cc43)c2NC1C.CC1Nc2c(cccc2C(=O)NCCCN2CCOc3ccccc32)CC1=O.COc1ccc2c(c1)CCCN2CCCNC(=O)c1cccc2c1NC(C)C(=O)C2.COc1ccc2c(c1)N(CCCNC(=O)c1cc(F)cc3c1NC(C)C(=O)C3)CCC2
• InChI: InChI=1S/C25H30FN3O2.C24H28FN3O3.C24H29N3O3.C22H25N3O3/c1-16-14-19-8-10-21(26)23(24(19)28-17(16)2)25(30)27-11-5-13-29-12-4-6-18-7-9-20(31-3)15-22(18)29;1-15-22(29)12-17-11-18(25)13-20(23(17)27-15)24(30)26-8-4-10-28-9-3-5-16-6-7-19(31-2)14-21(16)28;1-16-22(28)15-18-6-3-8-20(23(18)26-16)24(29)25-11-5-13-27-12-4-7-17-14-19(30-2)9-10-21(17)27;1-15-19(26)14-16-6-4-7-17(21(16)24-15)22(27)23-10-5-11-25-12-13-28-20-9-3-2-8-18(20)25/h7-10,15,17,28H,1,4-6,11-14H2,2-3H3,(H,27,30);6-7,11,13-15,27H,3-5,8-10,12H2,1-2H3,(H,26,30);3,6,8-10,14,16,26H,4-5,7,11-13,15H2,1-2H3,(H,25,29);2-4,6-9,15,24H,5,10-14H2,1H3,(H,23,27)
• InChIKey: FNSUHRDNMDLZST-UHFFFAOYSA-N
• XLogP: 13.48
• TPSA: 265.61 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 23
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1636.01
LogP ≤ 5	13.48
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;7-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;6-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;N-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide?

The IUPAC name of N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;7-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;6-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;N-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide (CID 158087887) is N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;7-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;6-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;N-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide.

What is the SMILES notation for N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;7-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;6-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;N-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide?

The canonical SMILES for N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;7-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;6-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;N-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide is C=C1Cc2ccc(F)c(C(=O)NCCCN3CCCc4ccc(OC)cc43)c2NC1C.CC1Nc2c(cccc2C(=O)NCCCN2CCOc3ccccc32)CC1=O.COc1ccc2c(c1)CCCN2CCCNC(=O)c1cccc2c1NC(C)C(=O)C2.COc1ccc2c(c1)N(CCCNC(=O)c1cc(F)cc3c1NC(C)C(=O)C3)CCC2.

What is the InChIKey of N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;7-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;6-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;N-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide?

The InChIKey is FNSUHRDNMDLZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2.C24H28FN3O3.C24H29N3O3.C22H25N3O3/c1-16-14-19-8-10-21(26)23(24(19)28-17(16)2)25(30)27-11-5-13-29-12-4-6-18-7-9-20(31-3)15-22(18)29;1-15-22(29)12-17-11-18(25)13-20(23(17)27-15)24(30)26-8-4-10-28-9-3-5-16-6-7-19(31-2)14-21(16)28;1-16-22(28)15-18-6-3-8-20(23(18)26-16)24(29)25-11-5-13-27-12-4-7-17-14-19(30-2)9-10-21(17)27;1-15-19(26)14-16-6-4-7-17(21(16)24-15)22(27)23-10-5-11-25-12-13-28-20-9-3-2-8-18(20)25/h7-10,15,17,28H,1,4-6,11-14H2,2-3H3,(H,27,30);6-7,11,13-15,27H,3-5,8-10,12H2,1-2H3,(H,26,30);3,6,8-10,14,16,26H,4-5,7,11-13,15H2,1-2H3,(H,25,29);2-4,6-9,15,24H,5,10-14H2,1H3,(H,23,27).

What are the key properties of N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;7-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;6-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;N-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide?

N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;7-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;6-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;N-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide has a molecular weight of 1636.01 g/mol, XLogP of 13.48, 23 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;7-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;6-fluoro-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide;N-[3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-oxo-2,4-dihydro-1H-quinoline-8-carboxamide is sourced from PubChem (CID 158087887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).