(2R)-N-(3,4-dimethoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide

C22H24N4O4 — CID 92892791

IUPAC(2R)-N-(3,4-dimethoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)n2cnc3nc4c(cc3c2=O)CCCC4)cc1OC
InChIInChI=1S/C22H24N4O4/c1-13(21(27)24-15-8-9-18(29-2)19(11-15)30-3)26-12-23-20-16(22(26)28)10-14-6-4-5-7-17(14)25-20/h8-13H,4-7H2,1-3H3,(H,24,27)/t13-/m1/s1
InChIKeyWUERKOZWCTVPLD-CYBMUJFWSA-N
MW408.46 g/mol
LogP2.89
Rot. Bonds5

About (2R)-N-(3,4-dimethoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide

(2R)-N-(3,4-dimethoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide (PubChem CID 92892791) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is (2R)-N-(3,4-dimethoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dimethoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide
PubChem CID92892791
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name(2R)-N-(3,4-dimethoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)n2cnc3nc4c(cc3c2=O)CCCC4)cc1OC
InChIInChI=1S/C22H24N4O4/c1-13(21(27)24-15-8-9-18(29-2)19(11-15)30-3)26-12-23-20-16(22(26)28)10-14-6-4-5-7-17(14)25-20/h8-13H,4-7H2,1-3H3,(H,24,27)/t13-/m1/s1
InChIKeyWUERKOZWCTVPLD-CYBMUJFWSA-N
XLogP2.89
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
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
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 1179841
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide
CID 92892797
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 17449931
N-(3-chloro-4-fluorophenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
CID 22577823
N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 2918932
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 17453700
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 1086238
N-(3-fluorophenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
CID 50800523
N-(3,4-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide
CID 84572510

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dimethoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide?
The IUPAC name of (2R)-N-(3,4-dimethoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide (CID 92892791) is (2R)-N-(3,4-dimethoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide.
What is the SMILES notation for (2R)-N-(3,4-dimethoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide?
The canonical SMILES for (2R)-N-(3,4-dimethoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide is COc1ccc(NC(=O)[C@@H](C)n2cnc3nc4c(cc3c2=O)CCCC4)cc1OC.
What is the InChIKey of (2R)-N-(3,4-dimethoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide?
The InChIKey is WUERKOZWCTVPLD-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-13(21(27)24-15-8-9-18(29-2)19(11-15)30-3)26-12-23-20-16(22(26)28)10-14-6-4-5-7-17(14)25-20/h8-13H,4-7H2,1-3H3,(H,24,27)/t13-/m1/s1.
What are the key properties of (2R)-N-(3,4-dimethoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide?
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide has a molecular weight of 408.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dimethoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide is sourced from PubChem (CID 92892791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).