5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one

C16H20ClN3O — CID 144977687

IUPAC5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one
SMILESCCc1nc2cccc(Cl)c2c(=O)n1CC1CCCNC1
InChIInChI=1S/C16H20ClN3O/c1-2-14-19-13-7-3-6-12(17)15(13)16(21)20(14)10-11-5-4-8-18-9-11/h3,6-7,11,18H,2,4-5,8-10H2,1H3
InChIKeyXLUQRPYXTJRDSC-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.61
Rot. Bonds3

About 5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one

5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one (PubChem CID 144977687) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one
PubChem CID144977687
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one
SMILESCCc1nc2cccc(Cl)c2c(=O)n1CC1CCCNC1
InChIInChI=1S/C16H20ClN3O/c1-2-14-19-13-7-3-6-12(17)15(13)16(21)20(14)10-11-5-4-8-18-9-11/h3,6-7,11,18H,2,4-5,8-10H2,1H3
InChIKeyXLUQRPYXTJRDSC-UHFFFAOYSA-N
XLogP2.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-ethyl-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one
CID 144977733
2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 63106528
5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 117263607
5-chloro-2-ethyl-3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one
CID 144977778
3-butyl-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one
CID 144977630
5-chloro-2-ethyl-3-(1H-pyrazol-5-ylmethyl)quinazolin-4-one
CID 144977712
2-ethyl-5,6-dimethoxy-1-(piperidin-3-ylmethyl)benzimidazole
CID 82149776
N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine
CID 82311900
2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 117264327
5-(3-chloro-4-fluorophenyl)-2-ethyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
CID 91076855
2,8-dichloro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one
CID 117264663
2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117165834

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one?
The IUPAC name of 5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one (CID 144977687) is 5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one?
The canonical SMILES for 5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one is CCc1nc2cccc(Cl)c2c(=O)n1CC1CCCNC1.
What is the InChIKey of 5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one?
The InChIKey is XLUQRPYXTJRDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-2-14-19-13-7-3-6-12(17)15(13)16(21)20(14)10-11-5-4-8-18-9-11/h3,6-7,11,18H,2,4-5,8-10H2,1H3.
What are the key properties of 5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one?
5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one has a molecular weight of 305.81 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 144977687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).