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

C32H27Cl2FN6O2 — CID 54761287

IUPAC6-(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
SMILESO=c1c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)c(F)c3)nc2n1C1CNc2ccccc2C1
InChIInChI=1S/C32H27Cl2FN6O2/c33-20-5-7-23(26(34)13-20)25-12-19-15-38-32(39-21-6-8-24(27(35)14-21)29-17-36-9-10-43-29)40-30(19)41(31(25)42)22-11-18-3-1-2-4-28(18)37-16-22/h1-8,12-15,22,29,36-37H,9-11,16-17H2,(H,38,39,40)
InChIKeyVZBJANCERVTPNA-UHFFFAOYSA-N
MW617.51 g/mol
LogP6.52
Rot. Bonds5

About 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

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 (PubChem CID 54761287) has the molecular formula C32H27Cl2FN6O2 and a molecular weight of 617.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID54761287
Molecular FormulaC32H27Cl2FN6O2
Molecular Weight617.51 g/mol
Exact Mass616.16
IUPAC Name6-(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
SMILESO=c1c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)c(F)c3)nc2n1C1CNc2ccccc2C1
InChIInChI=1S/C32H27Cl2FN6O2/c33-20-5-7-23(26(34)13-20)25-12-19-15-38-32(39-21-6-8-24(27(35)14-21)29-17-36-9-10-43-29)40-30(19)41(31(25)42)22-11-18-3-1-2-4-28(18)37-16-22/h1-8,12-15,22,29,36-37H,9-11,16-17H2,(H,38,39,40)
InChIKeyVZBJANCERVTPNA-UHFFFAOYSA-N
XLogP6.52
TPSA93.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.51
LogP ≤ 56.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 56
CID 5327902
7-chloro-3-(3,5-dichlorophenyl)-2-oxo-4-[2-[(2S)-piperidin-2-yl]ethoxy]-N-pyrimidin-4-yl-1H-quinoline-6-carboxamide
CID 44292868
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-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
CID 54761288
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
6-(2,4-dichlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 54761455

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)c(F)c3)nc2n1C1CNc2ccccc2C1.
What is the InChIKey of 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?
The InChIKey is VZBJANCERVTPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27Cl2FN6O2/c33-20-5-7-23(26(34)13-20)25-12-19-15-38-32(39-21-6-8-24(27(35)14-21)29-17-36-9-10-43-29)40-30(19)41(31(25)42)22-11-18-3-1-2-4-28(18)37-16-22/h1-8,12-15,22,29,36-37H,9-11,16-17H2,(H,38,39,40).
What are the key properties of 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?
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 has a molecular weight of 617.51 g/mol, XLogP of 6.52, 5 rotatable bonds, 3 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-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 54761287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).