N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-7-(4-phenoxyphenyl)-1H-quinoline-5-carboxamide

C30H25N3O4 — CID 164522601

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-7-(4-phenoxyphenyl)-1H-quinoline-5-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3ccc(Oc4ccccc4)cc3)cc3[nH]c(=O)ccc23)c(=O)[nH]1
InChIInChI=1S/C30H25N3O4/c1-18-14-19(2)32-30(36)26(18)17-31-29(35)25-15-21(16-27-24(25)12-13-28(34)33-27)20-8-10-23(11-9-20)37-22-6-4-3-5-7-22/h3-16H,17H2,1-2H3,(H,31,35)(H,32,36)(H,33,34)
InChIKeyBWYNECYPLCBWPD-UHFFFAOYSA-N
MW491.55 g/mol
LogP5.22
Rot. Bonds6

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-7-(4-phenoxyphenyl)-1H-quinoline-5-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-7-(4-phenoxyphenyl)-1H-quinoline-5-carboxamide (PubChem CID 164522601) has the molecular formula C30H25N3O4 and a molecular weight of 491.55 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-7-(4-phenoxyphenyl)-1H-quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-7-(4-phenoxyphenyl)-1H-quinoline-5-carboxamide
PubChem CID164522601
Molecular FormulaC30H25N3O4
Molecular Weight491.55 g/mol
Exact Mass491.18
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-7-(4-phenoxyphenyl)-1H-quinoline-5-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3ccc(Oc4ccccc4)cc3)cc3[nH]c(=O)ccc23)c(=O)[nH]1
InChIInChI=1S/C30H25N3O4/c1-18-14-19(2)32-30(36)26(18)17-31-29(35)25-15-21(16-27-24(25)12-13-28(34)33-27)20-8-10-23(11-9-20)37-22-6-4-3-5-7-22/h3-16H,17H2,1-2H3,(H,31,35)(H,32,36)(H,33,34)
InChIKeyBWYNECYPLCBWPD-UHFFFAOYSA-N
XLogP5.22
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.55
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-7-(4-phenoxyphenyl)-1H-quinoline-5-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-7-(4-phenoxyphenyl)-1H-quinoline-5-carboxamide (CID 164522601) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-7-(4-phenoxyphenyl)-1H-quinoline-5-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-7-(4-phenoxyphenyl)-1H-quinoline-5-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-7-(4-phenoxyphenyl)-1H-quinoline-5-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(Oc4ccccc4)cc3)cc3[nH]c(=O)ccc23)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-7-(4-phenoxyphenyl)-1H-quinoline-5-carboxamide?
The InChIKey is BWYNECYPLCBWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O4/c1-18-14-19(2)32-30(36)26(18)17-31-29(35)25-15-21(16-27-24(25)12-13-28(34)33-27)20-8-10-23(11-9-20)37-22-6-4-3-5-7-22/h3-16H,17H2,1-2H3,(H,31,35)(H,32,36)(H,33,34).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-7-(4-phenoxyphenyl)-1H-quinoline-5-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-7-(4-phenoxyphenyl)-1H-quinoline-5-carboxamide has a molecular weight of 491.55 g/mol, XLogP of 5.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-7-(4-phenoxyphenyl)-1H-quinoline-5-carboxamide is sourced from PubChem (CID 164522601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).