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

C22H24N4O3 — CID 92875609

IUPAC(2R)-N-(4-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide
SMILESCC[C@H](C(=O)Nc1ccc(OC)cc1)n1cnc2nc3c(cc2c1=O)CCCC3
InChIInChI=1S/C22H24N4O3/c1-3-19(21(27)24-15-8-10-16(29-2)11-9-15)26-13-23-20-17(22(26)28)12-14-6-4-5-7-18(14)25-20/h8-13,19H,3-7H2,1-2H3,(H,24,27)/t19-/m1/s1
InChIKeyFTWJJVKSLRHJON-LJQANCHMSA-N
MW392.46 g/mol
LogP3.27
Rot. Bonds5

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

(2R)-N-(4-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide (PubChem CID 92875609) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2R)-N-(4-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-(4-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide
PubChem CID92875609
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(2R)-N-(4-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide
SMILESCC[C@H](C(=O)Nc1ccc(OC)cc1)n1cnc2nc3c(cc2c1=O)CCCC3
InChIInChI=1S/C22H24N4O3/c1-3-19(21(27)24-15-8-10-16(29-2)11-9-15)26-13-23-20-17(22(26)28)12-14-6-4-5-7-18(14)25-20/h8-13,19H,3-7H2,1-2H3,(H,24,27)/t19-/m1/s1
InChIKeyFTWJJVKSLRHJON-LJQANCHMSA-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

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Related Compounds

(2S)-N-(3-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide
CID 92875580
ethyl 4-[2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanoylamino]benzoate
CID 50800491
(2R)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-propylbutanamide
CID 92875626
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide
CID 92892797
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)propanamide
CID 92892791
N-(4-methoxyphenyl)-2-(6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)butanamide
CID 50760955
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-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]butanamide
CID 28622867
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide
CID 16576209
2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)butanamide
CID 154748110
(2S)-N-(4-chlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7633398

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide?
The IUPAC name of (2R)-N-(4-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide (CID 92875609) is (2R)-N-(4-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide.
What is the SMILES notation for (2R)-N-(4-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide?
The canonical SMILES for (2R)-N-(4-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide is CC[C@H](C(=O)Nc1ccc(OC)cc1)n1cnc2nc3c(cc2c1=O)CCCC3.
What is the InChIKey of (2R)-N-(4-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide?
The InChIKey is FTWJJVKSLRHJON-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-19(21(27)24-15-8-10-16(29-2)11-9-15)26-13-23-20-17(22(26)28)12-14-6-4-5-7-18(14)25-20/h8-13,19H,3-7H2,1-2H3,(H,24,27)/t19-/m1/s1.
What are the key properties of (2R)-N-(4-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide?
(2R)-N-(4-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 (2R)-N-(4-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide is sourced from PubChem (CID 92875609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).