6-(2,4-dichlorophenyl)-2-(3-fluoro-4-morpholin-2-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

C33H29Cl2FN6O2 — CID 54761288

IUPAC6-(2,4-dichlorophenyl)-2-(3-fluoro-4-morpholin-2-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CC(n2c(=O)c(-c3ccc(Cl)cc3Cl)cc3cnc(Nc4ccc(C5CNCCO5)c(F)c4)nc32)Cc2ccccc21
InChIInChI=1S/C33H29Cl2FN6O2/c1-41-18-23(12-19-4-2-3-5-29(19)41)42-31-20(13-26(32(42)43)24-8-6-21(34)14-27(24)35)16-38-33(40-31)39-22-7-9-25(28(36)15-22)30-17-37-10-11-44-30/h2-9,13-16,23,30,37H,10-12,17-18H2,1H3,(H,38,39,40)
InChIKeyMABIFVGAXRVUQD-UHFFFAOYSA-N
MW631.54 g/mol
LogP6.54
Rot. Bonds5

About 6-(2,4-dichlorophenyl)-2-(3-fluoro-4-morpholin-2-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

6-(2,4-dichlorophenyl)-2-(3-fluoro-4-morpholin-2-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 54761288) has the molecular formula C33H29Cl2FN6O2 and a molecular weight of 631.54 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-2-(3-fluoro-4-morpholin-2-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-2-(3-fluoro-4-morpholin-2-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID54761288
Molecular FormulaC33H29Cl2FN6O2
Molecular Weight631.54 g/mol
Exact Mass630.17
IUPAC Name6-(2,4-dichlorophenyl)-2-(3-fluoro-4-morpholin-2-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CC(n2c(=O)c(-c3ccc(Cl)cc3Cl)cc3cnc(Nc4ccc(C5CNCCO5)c(F)c4)nc32)Cc2ccccc21
InChIInChI=1S/C33H29Cl2FN6O2/c1-41-18-23(12-19-4-2-3-5-29(19)41)42-31-20(13-26(32(42)43)24-8-6-21(34)14-27(24)35)16-38-33(40-31)39-22-7-9-25(28(36)15-22)30-17-37-10-11-44-30/h2-9,13-16,23,30,37H,10-12,17-18H2,1H3,(H,38,39,40)
InChIKeyMABIFVGAXRVUQD-UHFFFAOYSA-N
XLogP6.54
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.54
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(2,4-dichlorophenyl)-2-(3-fluoro-4-morpholin-2-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 56
CID 5327902
2-[7-Chloro-3-(3,5-dimethyl-phenyl)-2-oxo-4-(2-piperidin-2-yl-ethoxy)-1,2-dihydro-quinolin-6-yl]-N-pyrimidin-4-yl-acetamide
CID 44293223
6-(2-chlorophenyl)-2-[3-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-8-[[(2R)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 172452514
Benzyl 6-[[6-(2-chlorophenyl)-8-(4-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 11642740
6-(2-chlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 54761113
6-(4-Cyclohexyl-2-fluorophenyl)-8-[2-(dimethylamino)ethyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70934196
8-[2-(Dimethylamino)ethyl]-6-[2-fluoro-4-(oxan-4-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 71249775
3-chloro-N-[3-chloro-4-[2-[2-(dimethylamino)ethylamino]-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-[(3-fluorophenyl)methoxy]cyclohexa-1,5-diene-1-carboxamide
CID 89847779
6-[4-Chloro-2-(1-methylpyrrolidin-2-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 90213076
N-(4-acetylphenyl)-4-[2-(3-fluoro-4-morpholin-2-ylanilino)-5-methylpyrimidin-4-yl]piperazine-1-carboxamide
CID 175043812
6-(2,4-Dichlorophenyl)-2-(3-fluoro-4-morpholin-2-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
CID 54761287
6-(2,4-dichlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 54761289

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-2-(3-fluoro-4-morpholin-2-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-dichlorophenyl)-2-(3-fluoro-4-morpholin-2-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 54761288) is 6-(2,4-dichlorophenyl)-2-(3-fluoro-4-morpholin-2-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-2-(3-fluoro-4-morpholin-2-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-dichlorophenyl)-2-(3-fluoro-4-morpholin-2-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is CN1CC(n2c(=O)c(-c3ccc(Cl)cc3Cl)cc3cnc(Nc4ccc(C5CNCCO5)c(F)c4)nc32)Cc2ccccc21.
What is the InChIKey of 6-(2,4-dichlorophenyl)-2-(3-fluoro-4-morpholin-2-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MABIFVGAXRVUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29Cl2FN6O2/c1-41-18-23(12-19-4-2-3-5-29(19)41)42-31-20(13-26(32(42)43)24-8-6-21(34)14-27(24)35)16-38-33(40-31)39-22-7-9-25(28(36)15-22)30-17-37-10-11-44-30/h2-9,13-16,23,30,37H,10-12,17-18H2,1H3,(H,38,39,40).
What are the key properties of 6-(2,4-dichlorophenyl)-2-(3-fluoro-4-morpholin-2-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?
6-(2,4-dichlorophenyl)-2-(3-fluoro-4-morpholin-2-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 631.54 g/mol, XLogP of 6.54, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-2-(3-fluoro-4-morpholin-2-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 54761288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).