2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide

C28H24N4O4 — CID 135843369

IUPAC2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)c3ccccc3n2)cc1OC
InChIInChI=1S/C28H24N4O4/c1-32(16-26-30-22-11-7-5-9-19(22)27(33)31-26)28(34)20-15-23(29-21-10-6-4-8-18(20)21)17-12-13-24(35-2)25(14-17)36-3/h4-15H,16H2,1-3H3,(H,30,31,33)
InChIKeyCJBPEEONRFWETK-UHFFFAOYSA-N
MW480.52 g/mol
LogP4.43
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide (PubChem CID 135843369) has the molecular formula C28H24N4O4 and a molecular weight of 480.52 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
PubChem CID135843369
Molecular FormulaC28H24N4O4
Molecular Weight480.52 g/mol
Exact Mass480.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)c3ccccc3n2)cc1OC
InChIInChI=1S/C28H24N4O4/c1-32(16-26-30-22-11-7-5-9-19(22)27(33)31-26)28(34)20-15-23(29-21-10-6-4-8-18(20)21)17-12-13-24(35-2)25(14-17)36-3/h4-15H,16H2,1-3H3,(H,30,31,33)
InChIKeyCJBPEEONRFWETK-UHFFFAOYSA-N
XLogP4.43
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide with MolForge

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Related Compounds

XR-11576
CID 9886593
Hortiacine
CID 378227
2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide
CID 615754
6-Methoxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one
CID 378228
4-Methoxy-benzo[a]phenazine-11-carboxylic acid (2-dimethylamino-1-methyl-ethyl)-amide
CID 11090378
N-(2-(4-Ethylpiperazin-1-yl)-4-methylquinolin-6-yl)-3,4-dimethoxybenzamide
CID 9550693
N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]phenyl]quinoline-3-carboxamide
CID 15511440
N-[(5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)(phenyl)methyl]propanamide
CID 24971367
17,18-Dimethoxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
CID 136026475
N-[2-[(2S)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164614014
N-[2-[(2S)-2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164628729
3,4-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 1504527

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide (CID 135843369) is 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)c3ccccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide?
The InChIKey is CJBPEEONRFWETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O4/c1-32(16-26-30-22-11-7-5-9-19(22)27(33)31-26)28(34)20-15-23(29-21-10-6-4-8-18(20)21)17-12-13-24(35-2)25(14-17)36-3/h4-15H,16H2,1-3H3,(H,30,31,33).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide has a molecular weight of 480.52 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 135843369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).