4-(3-chlorophenyl)-1-ethyl-7-(1-hydroxyethyl)pyrido[2,3-d]pyrimidin-2-one

C17H16ClN3O2 — CID 23284493

IUPAC4-(3-chlorophenyl)-1-ethyl-7-(1-hydroxyethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCCn1c(=O)nc(-c2cccc(Cl)c2)c2ccc(C(C)O)nc21
InChIInChI=1S/C17H16ClN3O2/c1-3-21-16-13(7-8-14(19-16)10(2)22)15(20-17(21)23)11-5-4-6-12(18)9-11/h4-10,22H,3H2,1-2H3
InChIKeyGJGBGGKXAKXEPC-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.19
Rot. Bonds3

About 4-(3-chlorophenyl)-1-ethyl-7-(1-hydroxyethyl)pyrido[2,3-d]pyrimidin-2-one

4-(3-chlorophenyl)-1-ethyl-7-(1-hydroxyethyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 23284493) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-ethyl-7-(1-hydroxyethyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-ethyl-7-(1-hydroxyethyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID23284493
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name4-(3-chlorophenyl)-1-ethyl-7-(1-hydroxyethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCCn1c(=O)nc(-c2cccc(Cl)c2)c2ccc(C(C)O)nc21
InChIInChI=1S/C17H16ClN3O2/c1-3-21-16-13(7-8-14(19-16)10(2)22)15(20-17(21)23)11-5-4-6-12(18)9-11/h4-10,22H,3H2,1-2H3
InChIKeyGJGBGGKXAKXEPC-UHFFFAOYSA-N
XLogP3.19
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-acetyl-4-(3-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one
CID 23284488
4-(4-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one
CID 23284519
4-(3-chlorophenyl)-1-ethyl-7-methyl-3-pyridin-3-yl-1,8-naphthyridin-2-one
CID 139890342
N-[4-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 22716699
7-chloro-3-ethyl-2-[(1S)-1-(hexylamino)ethyl]quinazolin-4-one
CID 7361055
2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid
CID 45030979
3-(2-aminoethyl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one
CID 12991183
4-(3-chlorophenyl)-6-(4-chlorophenyl)-1-methylquinazolin-2-one
CID 139899667
5-(3-chlorophenyl)-3-ethyl-2-phenylimidazol-4-amine
CID 63468761
2,6-dichloro-3-ethylquinazolin-4-one
CID 114692904
3-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-N,N-dimethylpropanamide
CID 12988026
3-(1-acetylpiperidin-4-yl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one
CID 12991192

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-ethyl-7-(1-hydroxyethyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-1-ethyl-7-(1-hydroxyethyl)pyrido[2,3-d]pyrimidin-2-one (CID 23284493) is 4-(3-chlorophenyl)-1-ethyl-7-(1-hydroxyethyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-1-ethyl-7-(1-hydroxyethyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-1-ethyl-7-(1-hydroxyethyl)pyrido[2,3-d]pyrimidin-2-one is CCn1c(=O)nc(-c2cccc(Cl)c2)c2ccc(C(C)O)nc21.
What is the InChIKey of 4-(3-chlorophenyl)-1-ethyl-7-(1-hydroxyethyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is GJGBGGKXAKXEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-3-21-16-13(7-8-14(19-16)10(2)22)15(20-17(21)23)11-5-4-6-12(18)9-11/h4-10,22H,3H2,1-2H3.
What are the key properties of 4-(3-chlorophenyl)-1-ethyl-7-(1-hydroxyethyl)pyrido[2,3-d]pyrimidin-2-one?
4-(3-chlorophenyl)-1-ethyl-7-(1-hydroxyethyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 329.79 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-ethyl-7-(1-hydroxyethyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 23284493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).