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

C17H23N3O — CID 135980503

IUPAC2-ethyl-6-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one
SMILESCCc1nc2ccc(CN3CCCCC3C)cc2c(=O)[nH]1
InChIInChI=1S/C17H23N3O/c1-3-16-18-15-8-7-13(10-14(15)17(21)19-16)11-20-9-5-4-6-12(20)2/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,18,19,21)
InChIKeyRXVQWNXNGHCZDP-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.86
Rot. Bonds3

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

2-ethyl-6-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one (PubChem CID 135980503) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-ethyl-6-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-6-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one
PubChem CID135980503
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-ethyl-6-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one
SMILESCCc1nc2ccc(CN3CCCCC3C)cc2c(=O)[nH]1
InChIInChI=1S/C17H23N3O/c1-3-16-18-15-8-7-13(10-14(15)17(21)19-16)11-20-9-5-4-6-12(20)2/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,18,19,21)
InChIKeyRXVQWNXNGHCZDP-UHFFFAOYSA-N
XLogP2.86
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-ethyl-3H-quinazolin-4-one
CID 156870380
6-(4-methoxyphenyl)-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135971015
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one
CID 135799571
4-[[(2R)-2-methylpiperidin-1-yl]methyl]benzenethiol
CID 97294059
6-[(2-methylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine
CID 65348464
2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-amine
CID 93391422
6-chloro-2-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 135812515
3-tert-butyl-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine
CID 118632997
ethane;2-ethyl-4-oxo-3H-quinazoline-6-carbonitrile
CID 144970383
[4-[(2-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888634
6-[(2-methylpiperidin-1-yl)methyl]naphthalene-2,3-diol;bis(2-methylpropanoic acid);hydrochloride
CID 20541860

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-ethyl-6-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one (CID 135980503) is 2-ethyl-6-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-ethyl-6-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-ethyl-6-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one is CCc1nc2ccc(CN3CCCCC3C)cc2c(=O)[nH]1.
What is the InChIKey of 2-ethyl-6-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one?
The InChIKey is RXVQWNXNGHCZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-16-18-15-8-7-13(10-14(15)17(21)19-16)11-20-9-5-4-6-12(20)2/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,18,19,21).
What are the key properties of 2-ethyl-6-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one?
2-ethyl-6-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one has a molecular weight of 285.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(2-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135980503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).