(2S)-N-(3-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide

C22H24N4O3 — CID 92875580

IUPAC(2S)-N-(3-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide
SMILESCC[C@@H](C(=O)Nc1cccc(OC)c1)n1cnc2nc3c(cc2c1=O)CCCC3
InChIInChI=1S/C22H24N4O3/c1-3-19(21(27)24-15-8-6-9-16(12-15)29-2)26-13-23-20-17(22(26)28)11-14-7-4-5-10-18(14)25-20/h6,8-9,11-13,19H,3-5,7,10H2,1-2H3,(H,24,27)/t19-/m0/s1
InChIKeyUYSAHBREIMATCH-IBGZPJMESA-N
MW392.46 g/mol
LogP3.27
Rot. Bonds5

About (2S)-N-(3-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide

(2S)-N-(3-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide (PubChem CID 92875580) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2S)-N-(3-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-N-(3-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide
PubChem CID92875580
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(2S)-N-(3-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide
SMILESCC[C@@H](C(=O)Nc1cccc(OC)c1)n1cnc2nc3c(cc2c1=O)CCCC3
InChIInChI=1S/C22H24N4O3/c1-3-19(21(27)24-15-8-6-9-16(12-15)29-2)26-13-23-20-17(22(26)28)11-14-7-4-5-10-18(14)25-20/h6,8-9,11-13,19H,3-5,7,10H2,1-2H3,(H,24,27)/t19-/m0/s1
InChIKeyUYSAHBREIMATCH-IBGZPJMESA-N
XLogP3.27
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-(3-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide with MolForge

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Related Compounds

(2R)-N-(4-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide
CID 92875609
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide
CID 92892797
(2R)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-propylbutanamide
CID 92875626
(2R)-N-(3-chloro-2-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide
CID 92892788
N-(3-methoxyphenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide
CID 4893770
N-[(2-methoxyphenyl)methyl]-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
CID 50800496
N-ethyl-N-(3-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide
CID 50800505
N-(3-fluorophenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
CID 50800523
N-(3-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 52900394
N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 2918932
N-(2,6-diethylphenyl)-2-(5-oxo-2-piperidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)butanamide
CID 53109793
2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)butanamide
CID 53097740

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide?
The IUPAC name of (2S)-N-(3-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide (CID 92875580) is (2S)-N-(3-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide.
What is the SMILES notation for (2S)-N-(3-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide?
The canonical SMILES for (2S)-N-(3-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide is CC[C@@H](C(=O)Nc1cccc(OC)c1)n1cnc2nc3c(cc2c1=O)CCCC3.
What is the InChIKey of (2S)-N-(3-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide?
The InChIKey is UYSAHBREIMATCH-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-19(21(27)24-15-8-6-9-16(12-15)29-2)26-13-23-20-17(22(26)28)11-14-7-4-5-10-18(14)25-20/h6,8-9,11-13,19H,3-5,7,10H2,1-2H3,(H,24,27)/t19-/m0/s1.
What are the key properties of (2S)-N-(3-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide?
(2S)-N-(3-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide has a molecular weight of 392.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide is sourced from PubChem (CID 92875580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).