N-(5-chloro-2-methoxyphenyl)-N-methyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide

C21H20ClN3O3 — CID 46273577

IUPACN-(5-chloro-2-methoxyphenyl)-N-methyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
SMILESCOc1ccc(Cl)cc1N(C)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCC3
InChIInChI=1S/C21H20ClN3O3/c1-24(17-12-14(22)7-9-18(17)28-2)20(26)13-6-8-15-16(11-13)23-19-5-3-4-10-25(19)21(15)27/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeyRFFNSAALQQJMGJ-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.67
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-N-methyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-N-methyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide (PubChem CID 46273577) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-N-methyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-N-methyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
PubChem CID46273577
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-N-methyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
SMILESCOc1ccc(Cl)cc1N(C)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCC3
InChIInChI=1S/C21H20ClN3O3/c1-24(17-12-14(22)7-9-18(17)28-2)20(26)13-6-8-15-16(11-13)23-19-5-3-4-10-25(19)21(15)27/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeyRFFNSAALQQJMGJ-UHFFFAOYSA-N
XLogP3.67
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 33082304
13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbonyl chloride
CID 58574486
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 24979902
(3,4-dimethoxyphenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 9096994
methyl 2-methoxy-5-[[(13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbonyl)amino]methyl]benzoate
CID 25481174
N-ethyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22551018
N-[(2,4-dimethoxyphenyl)methyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 55577273
N-[2-(dimethylamino)-2-oxoethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 9480689
3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 2099778
N-(2,5-dimethylphenyl)-N-ethyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 46273585
N-methyl-12-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 34470728
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 9262704

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-N-methyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-N-methyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide (CID 46273577) is N-(5-chloro-2-methoxyphenyl)-N-methyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-N-methyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-N-methyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide is COc1ccc(Cl)cc1N(C)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCC3.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-N-methyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide?
The InChIKey is RFFNSAALQQJMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-24(17-12-14(22)7-9-18(17)28-2)20(26)13-6-8-15-16(11-13)23-19-5-3-4-10-25(19)21(15)27/h6-9,11-12H,3-5,10H2,1-2H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-N-methyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-N-methyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-N-methyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide is sourced from PubChem (CID 46273577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).