2,8-dichloro-3-(piperidin-2-ylmethyl)quinazolin-4-one

C14H15Cl2N3O — CID 117264638

IUPAC2,8-dichloro-3-(piperidin-2-ylmethyl)quinazolin-4-one
SMILESO=c1c2cccc(Cl)c2nc(Cl)n1CC1CCCCN1
InChIInChI=1S/C14H15Cl2N3O/c15-11-6-3-5-10-12(11)18-14(16)19(13(10)20)8-9-4-1-2-7-17-9/h3,5-6,9,17H,1-2,4,7-8H2
InChIKeyLRYNFRDTSOLDCV-UHFFFAOYSA-N
MW312.20 g/mol
LogP2.85
Rot. Bonds2

About 2,8-dichloro-3-(piperidin-2-ylmethyl)quinazolin-4-one

2,8-dichloro-3-(piperidin-2-ylmethyl)quinazolin-4-one (PubChem CID 117264638) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 2,8-dichloro-3-(piperidin-2-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name2,8-dichloro-3-(piperidin-2-ylmethyl)quinazolin-4-one
PubChem CID117264638
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name2,8-dichloro-3-(piperidin-2-ylmethyl)quinazolin-4-one
SMILESO=c1c2cccc(Cl)c2nc(Cl)n1CC1CCCCN1
InChIInChI=1S/C14H15Cl2N3O/c15-11-6-3-5-10-12(11)18-14(16)19(13(10)20)8-9-4-1-2-7-17-9/h3,5-6,9,17H,1-2,4,7-8H2
InChIKeyLRYNFRDTSOLDCV-UHFFFAOYSA-N
XLogP2.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,8-dichloro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one
CID 117264663
8-chloro-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one
CID 75690477
1,8-dimethyl-3-(piperidin-2-ylmethyl)quinazoline-2,4-dione
CID 117263187
5-chloro-2-ethyl-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one
CID 144977733
7-bromo-2-(chloromethyl)-3-(piperidin-2-ylmethyl)quinazolin-4-one
CID 58574145
4-chloro-2-(piperidin-2-ylmethyl)-1,3-benzothiazole
CID 84640324
3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride
CID 78053632
2,6-dichloro-N-(piperidin-2-ylmethyl)aniline
CID 106634051
2-[(2-bromo-6-chlorophenyl)methyl]piperidine
CID 117466290
4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84633647
2-[1-(piperidin-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 63640680
1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazolidin-2-one
CID 46881463

Frequently Asked Questions

What is the IUPAC name of 2,8-dichloro-3-(piperidin-2-ylmethyl)quinazolin-4-one?
The IUPAC name of 2,8-dichloro-3-(piperidin-2-ylmethyl)quinazolin-4-one (CID 117264638) is 2,8-dichloro-3-(piperidin-2-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 2,8-dichloro-3-(piperidin-2-ylmethyl)quinazolin-4-one?
The canonical SMILES for 2,8-dichloro-3-(piperidin-2-ylmethyl)quinazolin-4-one is O=c1c2cccc(Cl)c2nc(Cl)n1CC1CCCCN1.
What is the InChIKey of 2,8-dichloro-3-(piperidin-2-ylmethyl)quinazolin-4-one?
The InChIKey is LRYNFRDTSOLDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c15-11-6-3-5-10-12(11)18-14(16)19(13(10)20)8-9-4-1-2-7-17-9/h3,5-6,9,17H,1-2,4,7-8H2.
What are the key properties of 2,8-dichloro-3-(piperidin-2-ylmethyl)quinazolin-4-one?
2,8-dichloro-3-(piperidin-2-ylmethyl)quinazolin-4-one has a molecular weight of 312.20 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dichloro-3-(piperidin-2-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 117264638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).