6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one

C15H18ClN3O — CID 135799571

IUPAC6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one
SMILESCC1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1
InChIInChI=1S/C15H18ClN3O/c1-10-4-6-19(7-5-10)9-14-17-13-3-2-11(16)8-12(13)15(20)18-14/h2-3,8,10H,4-7,9H2,1H3,(H,17,18,20)
InChIKeyBGGAENRPTCDFTB-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.81
Rot. Bonds2

About 6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one

6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one (PubChem CID 135799571) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one
PubChem CID135799571
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one
SMILESCC1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1
InChIInChI=1S/C15H18ClN3O/c1-10-4-6-19(7-5-10)9-14-17-13-3-2-11(16)8-12(13)15(20)18-14/h2-3,8,10H,4-7,9H2,1H3,(H,17,18,20)
InChIKeyBGGAENRPTCDFTB-UHFFFAOYSA-N
XLogP2.81
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-6-chloro-3H-quinazolin-4-one
CID 137092622
2-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-6-chloro-3H-quinazolin-4-one;hydrochloride
CID 137156467
6-chloro-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136563185
2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-ylmethyl)-6-chloro-3H-quinazolin-4-one;hydrochloride
CID 137091731
6-chloro-2-[[(3S)-3-(2-hydroxyethoxy)piperidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136817537
6-chloro-2-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135875431
N-[(2S)-butan-2-yl]-2-[4-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]acetamide
CID 135882940
7-chloro-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135951727
2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-6-chloro-3H-quinazolin-4-one
CID 135940479
ethyl 1-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-4-carboxylate
CID 135543495
2-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-6-chloro-3H-quinazolin-4-one;hydrochloride
CID 137036786
6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135783142

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one (CID 135799571) is 6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one is CC1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1.
What is the InChIKey of 6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one?
The InChIKey is BGGAENRPTCDFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10-4-6-19(7-5-10)9-14-17-13-3-2-11(16)8-12(13)15(20)18-14/h2-3,8,10H,4-7,9H2,1H3,(H,17,18,20).
What are the key properties of 6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one?
6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one has a molecular weight of 291.78 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135799571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).