4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one

C16H12Cl3N3O — CID 146235349

IUPAC4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCC(C)c1ccccc1-n1c(=O)nc(Cl)c2cc(Cl)c(Cl)nc21
InChIInChI=1S/C16H12Cl3N3O/c1-8(2)9-5-3-4-6-12(9)22-15-10(13(18)21-16(22)23)7-11(17)14(19)20-15/h3-8H,1-2H3
InChIKeyHKORNXJRGDGWKW-UHFFFAOYSA-N
MW368.65 g/mol
LogP4.86
Rot. Bonds2

About 4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one

4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 146235349) has the molecular formula C16H12Cl3N3O and a molecular weight of 368.65 g/mol. Its IUPAC name is 4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID146235349
Molecular FormulaC16H12Cl3N3O
Molecular Weight368.65 g/mol
Exact Mass367.00
IUPAC Name4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCC(C)c1ccccc1-n1c(=O)nc(Cl)c2cc(Cl)c(Cl)nc21
InChIInChI=1S/C16H12Cl3N3O/c1-8(2)9-5-3-4-6-12(9)22-15-10(13(18)21-16(22)23)7-11(17)14(19)20-15/h3-8H,1-2H3
InChIKeyHKORNXJRGDGWKW-UHFFFAOYSA-N
XLogP4.86
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.65
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-amino-7-chloro-6-fluoro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 167080503
6-chloro-4-(2-methylpiperazin-1-yl)-7-(2-methylpiperidin-1-yl)-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146236068
7-bromo-6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one
CID 161031638
6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one
CID 172853674
6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 167103373
1-(2-propan-2-ylphenyl)quinazolin-2-one
CID 140956860
6-chloro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)-7-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-2-one
CID 146234956
6-chloro-7-(3-fluoro-2-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146254340
6-chloro-7-(1,3-dimethylpyrrol-2-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 157239095
6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)quinazolin-2-one
CID 159119244
6-chloro-7-(3-fluoro-5-methyl-2-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 157273731
6,7-dichloro-1-(4-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146254500

Frequently Asked Questions

What is the IUPAC name of 4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one (CID 146235349) is 4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one is CC(C)c1ccccc1-n1c(=O)nc(Cl)c2cc(Cl)c(Cl)nc21.
What is the InChIKey of 4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is HKORNXJRGDGWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3N3O/c1-8(2)9-5-3-4-6-12(9)22-15-10(13(18)21-16(22)23)7-11(17)14(19)20-15/h3-8H,1-2H3.
What are the key properties of 4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one?
4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 368.65 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 146235349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).