3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide

C34H29FN4O4 — CID 58000010

IUPAC3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
SMILESCOc1ccc(COc2c3c(c(C(=O)NCc4ccccn4)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1
InChIInChI=1S/C34H29FN4O4/c1-39-19-28-29(33(40)38-18-25-5-3-4-14-36-25)27-16-23(15-21-6-10-24(35)11-7-21)17-37-31(27)32(30(28)34(39)41)43-20-22-8-12-26(42-2)13-9-22/h3-14,16-17H,15,18-20H2,1-2H3,(H,38,40)
InChIKeyAQFQEAHTNMUNPC-UHFFFAOYSA-N
MW576.63 g/mol
LogP5.46
Rot. Bonds9

About 3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide

3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide (PubChem CID 58000010) has the molecular formula C34H29FN4O4 and a molecular weight of 576.63 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
PubChem CID58000010
Molecular FormulaC34H29FN4O4
Molecular Weight576.63 g/mol
Exact Mass576.22
IUPAC Name3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
SMILESCOc1ccc(COc2c3c(c(C(=O)NCc4ccccn4)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1
InChIInChI=1S/C34H29FN4O4/c1-39-19-28-29(33(40)38-18-25-5-3-4-14-36-25)27-16-23(15-21-6-10-24(35)11-7-21)17-37-31(27)32(30(28)34(39)41)43-20-22-8-12-26(42-2)13-9-22/h3-14,16-17H,15,18-20H2,1-2H3,(H,38,40)
InChIKeyAQFQEAHTNMUNPC-UHFFFAOYSA-N
XLogP5.46
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.63
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide (CID 58000010) is 3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide is COc1ccc(COc2c3c(c(C(=O)NCc4ccccn4)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
The InChIKey is AQFQEAHTNMUNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29FN4O4/c1-39-19-28-29(33(40)38-18-25-5-3-4-14-36-25)27-16-23(15-21-6-10-24(35)11-7-21)17-37-31(27)32(30(28)34(39)41)43-20-22-8-12-26(42-2)13-9-22/h3-14,16-17H,15,18-20H2,1-2H3,(H,38,40).
What are the key properties of 3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide has a molecular weight of 576.63 g/mol, XLogP of 5.46, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-8-oxo-N-(pyridin-2-ylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide is sourced from PubChem (CID 58000010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).