N-(3-methylphenyl)-2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide

C26H24N4O2S — CID 3493227

IUPACN-(3-methylphenyl)-2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide
SMILESCc1cccc(NC(=O)CSc2nc3nc4c(cc3c(=O)n2-c2ccccc2)CCCC4)c1
InChIInChI=1S/C26H24N4O2S/c1-17-8-7-10-19(14-17)27-23(31)16-33-26-29-24-21(15-18-9-5-6-13-22(18)28-24)25(32)30(26)20-11-3-2-4-12-20/h2-4,7-8,10-12,14-15H,5-6,9,13,16H2,1H3,(H,27,31)
InChIKeyWXEWCPOYBUCTNR-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.70
Rot. Bonds5

About N-(3-methylphenyl)-2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide

N-(3-methylphenyl)-2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide (PubChem CID 3493227) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide
PubChem CID3493227
Molecular FormulaC26H24N4O2S
Molecular Weight456.57 g/mol
Exact Mass456.16
IUPAC NameN-(3-methylphenyl)-2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide
SMILESCc1cccc(NC(=O)CSc2nc3nc4c(cc3c(=O)n2-c2ccccc2)CCCC4)c1
InChIInChI=1S/C26H24N4O2S/c1-17-8-7-10-19(14-17)27-23(31)16-33-26-29-24-21(15-18-9-5-6-13-22(18)28-24)25(32)30(26)20-11-3-2-4-12-20/h2-4,7-8,10-12,14-15H,5-6,9,13,16H2,1H3,(H,27,31)
InChIKeyWXEWCPOYBUCTNR-UHFFFAOYSA-N
XLogP4.70
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-methylphenyl)-2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methylsulfanyl-3-o-tolyl-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one
CID 929434
N-(4-acetylphenyl)-2-[(3-ethyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide
CID 1996177
3-phenyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one
CID 5418960
2-[[3-(2-methylphenyl)-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl]-N-phenylacetamide
CID 1213138
2-[(4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide
CID 1949422
N-Naphthalen-1-yl-2-(4-oxo-3-phenyl-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-acetamide
CID 1989175
N-(4-chlorophenyl)-2-[(3-ethyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide
CID 2012194
N-(4-Acetylphenyl)-2-{4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-B]quinolin-3-YL}butanamide
CID 16029364
1-(3,4-Dimethylphenyl)-2-[(4-hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)thio]ethanone
CID 135423599
5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-1H-pyrido[2,3-d]pyrimidin-4-one
CID 135433270
2-((4-hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide
CID 135450655
N-[4-(Dimethylamino)phenyl]-2-({4-hydroxy-5,7-dimethylpyrido[2,3-D]pyrimidin-2-YL}sulfanyl)acetamide
CID 135467387

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide (CID 3493227) is N-(3-methylphenyl)-2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide is Cc1cccc(NC(=O)CSc2nc3nc4c(cc3c(=O)n2-c2ccccc2)CCCC4)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide?
The InChIKey is WXEWCPOYBUCTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S/c1-17-8-7-10-19(14-17)27-23(31)16-33-26-29-24-21(15-18-9-5-6-13-22(18)28-24)25(32)30(26)20-11-3-2-4-12-20/h2-4,7-8,10-12,14-15H,5-6,9,13,16H2,1H3,(H,27,31).
What are the key properties of N-(3-methylphenyl)-2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide?
N-(3-methylphenyl)-2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide has a molecular weight of 456.57 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3493227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).