6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

C30H32N6O3 — CID 123827180

IUPAC6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCOc1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(C2Cc3ccccc3NC2=O)c1=O
InChIInChI=1S/C30H32N6O3/c1-3-39-26-17-22-18-31-30(32-23-10-8-19(9-11-23)20-12-14-35(2)15-13-20)34-27(22)36(29(26)38)25-16-21-6-4-5-7-24(21)33-28(25)37/h4-11,17-18,20,25H,3,12-16H2,1-2H3,(H,33,37)(H,31,32,34)
InChIKeyQSQPTKBSXFAFOE-UHFFFAOYSA-N
MW524.63 g/mol
LogP4.48
Rot. Bonds6

About 6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 123827180) has the molecular formula C30H32N6O3 and a molecular weight of 524.63 g/mol. Its IUPAC name is 6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID123827180
Molecular FormulaC30H32N6O3
Molecular Weight524.63 g/mol
Exact Mass524.25
IUPAC Name6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCOc1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(C2Cc3ccccc3NC2=O)c1=O
InChIInChI=1S/C30H32N6O3/c1-3-39-26-17-22-18-31-30(32-23-10-8-19(9-11-23)20-12-14-35(2)15-13-20)34-27(22)36(29(26)38)25-16-21-6-4-5-7-24(21)33-28(25)37/h4-11,17-18,20,25H,3,12-16H2,1-2H3,(H,33,37)(H,31,32,34)
InChIKeyQSQPTKBSXFAFOE-UHFFFAOYSA-N
XLogP4.48
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.63
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[4,5-Dihydro-4-methyl-6-[[4-(4-morpholinylcarbonyl)phenyl]amino]-5-oxo-2-pyrazinyl]-2-methylphenyl]-5-(1,1-dimethylethyl)-2-pyrimidinecarboxamide
CID 58729072
2-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]pyrimidine-5-carboxamide
CID 66895407
7-[4-(1-methylpiperidin-4-yl)anilino]-3-phenyl-1-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 72712891
N-(4-carbamoylphenyl)-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazine-1-carboxamide
CID 154637067
N-(4-acetylphenyl)-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazine-1-carboxamide
CID 154637078
(4-(8-(6-Methylpyridin-3-yl)quinazolin-2-ylamino)phenyl)(morpholino)methanone
CID 54585213
N-[4-methyl-3-[1-methyl-7-(3-morpholin-4-ylpropylamino)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 127030484
6-[2-cyclopropyl-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2S)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 127051548
N-[4-methyl-3-[1-methyl-7-[4-methyl-3-(prop-2-enoylamino)anilino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-4-propylcyclohexane-1-carboxamide
CID 137631651
1-(4-Acetylphenyl)-3-[4-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]urea
CID 137648674
N-methyl-4-[[4-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]carbamoylamino]benzamide
CID 137651064
(2S)-2-amino-4-methyl-N-[4-methyl-3-[1-methyl-7-[4-methyl-3-(prop-2-enoylamino)anilino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]pentanamide
CID 137662069

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 123827180) is 6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is CCOc1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(C2Cc3ccccc3NC2=O)c1=O.
What is the InChIKey of 6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QSQPTKBSXFAFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O3/c1-3-39-26-17-22-18-31-30(32-23-10-8-19(9-11-23)20-12-14-35(2)15-13-20)34-27(22)36(29(26)38)25-16-21-6-4-5-7-24(21)33-28(25)37/h4-11,17-18,20,25H,3,12-16H2,1-2H3,(H,33,37)(H,31,32,34).
What are the key properties of 6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?
6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 524.63 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 123827180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).