5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one

C14H16ClN3O — CID 117263607

IUPAC5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one
SMILESO=c1c2c(Cl)cccc2ncn1CC1CCCNC1
InChIInChI=1S/C14H16ClN3O/c15-11-4-1-5-12-13(11)14(19)18(9-17-12)8-10-3-2-6-16-7-10/h1,4-5,9-10,16H,2-3,6-8H2
InChIKeyUYIXNHCKPLYQPU-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.05
Rot. Bonds2

About 5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one

5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one (PubChem CID 117263607) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one
PubChem CID117263607
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one
SMILESO=c1c2c(Cl)cccc2ncn1CC1CCCNC1
InChIInChI=1S/C14H16ClN3O/c15-11-4-1-5-12-13(11)14(19)18(9-17-12)8-10-3-2-6-16-7-10/h1,4-5,9-10,16H,2-3,6-8H2
InChIKeyUYIXNHCKPLYQPU-UHFFFAOYSA-N
XLogP2.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 144977687
7-methyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 84793040
3-(azetidin-3-ylmethyl)-5-fluoroquinazolin-4-one
CID 117263580
3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one
CID 117263974
1-(piperidin-3-ylmethyl)benzimidazol-5-ol
CID 84794554
4-chloro-1-(piperidin-3-ylmethyl)indole-3-carboxamide
CID 145106745
9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine
CID 68898401
3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine
CID 130508481
3-(5-chloro-4-oxoquinazolin-3-yl)propanoic acid
CID 117263812
5-chloro-3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]quinazolin-4-one
CID 146144109
3-(4-aminocyclohexyl)-5-chloroquinazolin-4-one;hydrochloride
CID 154910405
3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462556

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one?
The IUPAC name of 5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one (CID 117263607) is 5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one?
The canonical SMILES for 5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one is O=c1c2c(Cl)cccc2ncn1CC1CCCNC1.
What is the InChIKey of 5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one?
The InChIKey is UYIXNHCKPLYQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-11-4-1-5-12-13(11)14(19)18(9-17-12)8-10-3-2-6-16-7-10/h1,4-5,9-10,16H,2-3,6-8H2.
What are the key properties of 5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one?
5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one has a molecular weight of 277.75 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 117263607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).