6-chloro-3-(quinolin-8-ylmethyl)pyrimidin-4-one

C14H10ClN3O — CID 114582096

IUPAC6-chloro-3-(quinolin-8-ylmethyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1Cc1cccc2cccnc12
InChIInChI=1S/C14H10ClN3O/c15-12-7-13(19)18(9-17-12)8-11-4-1-3-10-5-2-6-16-14(10)11/h1-7,9H,8H2
InChIKeyDKGMDDUHIZFNRW-UHFFFAOYSA-N
MW271.71 g/mol
LogP2.49
Rot. Bonds2

About 6-chloro-3-(quinolin-8-ylmethyl)pyrimidin-4-one

6-chloro-3-(quinolin-8-ylmethyl)pyrimidin-4-one (PubChem CID 114582096) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 6-chloro-3-(quinolin-8-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(quinolin-8-ylmethyl)pyrimidin-4-one
PubChem CID114582096
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name6-chloro-3-(quinolin-8-ylmethyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1Cc1cccc2cccnc12
InChIInChI=1S/C14H10ClN3O/c15-12-7-13(19)18(9-17-12)8-11-4-1-3-10-5-2-6-16-14(10)11/h1-7,9H,8H2
InChIKeyDKGMDDUHIZFNRW-UHFFFAOYSA-N
XLogP2.49
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 114582406
1-(quinolin-8-ylmethyl)pyrrole-2,5-dione
CID 81428770
3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one
CID 107017504
1-(quinolin-8-ylmethyl)pyrrole-2-carbaldehyde
CID 66410307
methyl 5-amino-1-(quinolin-8-ylmethyl)imidazole-4-carboxylate
CID 103545848
5-ethyl-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione
CID 66329338
2-methylsulfanyl-6-(quinolin-8-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 122132362
1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine
CID 54929663
8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline
CID 60982843
8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline
CID 63926675
8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline
CID 81423655
8-[(6-fluoroindol-1-yl)methyl]quinoline
CID 116620052

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(quinolin-8-ylmethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(quinolin-8-ylmethyl)pyrimidin-4-one (CID 114582096) is 6-chloro-3-(quinolin-8-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(quinolin-8-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(quinolin-8-ylmethyl)pyrimidin-4-one is O=c1cc(Cl)ncn1Cc1cccc2cccnc12.
What is the InChIKey of 6-chloro-3-(quinolin-8-ylmethyl)pyrimidin-4-one?
The InChIKey is DKGMDDUHIZFNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-12-7-13(19)18(9-17-12)8-11-4-1-3-10-5-2-6-16-14(10)11/h1-7,9H,8H2.
What are the key properties of 6-chloro-3-(quinolin-8-ylmethyl)pyrimidin-4-one?
6-chloro-3-(quinolin-8-ylmethyl)pyrimidin-4-one has a molecular weight of 271.71 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(quinolin-8-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 114582096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).