2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one

C17H23N3O — CID 135850085

IUPAC2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C1CCCCCC1
InChIInChI=1S/C17H23N3O/c1-20(13-8-4-2-3-5-9-13)12-16-18-15-11-7-6-10-14(15)17(21)19-16/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,18,19,21)
InChIKeyYNDZXWQWXIUKFY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.08
Rot. Bonds3

About 2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one

2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one (PubChem CID 135850085) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
PubChem CID135850085
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C1CCCCCC1
InChIInChI=1S/C17H23N3O/c1-20(13-8-4-2-3-5-9-13)12-16-18-15-11-7-6-10-14(15)17(21)19-16/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,18,19,21)
InChIKeyYNDZXWQWXIUKFY-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 156870467
N-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide
CID 135718611
N-cyclopentyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclopropanecarboxamide
CID 135429091
N-cyclohexyl-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135417677
2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one
CID 135718756
1-cyclopentyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea
CID 135481243
2-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-3H-quinazolin-4-one
CID 135914752
2-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-3H-quinazolin-4-one
CID 135891186
3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135417697
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135890821
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]thiourea
CID 135789186
3-cyclohexyl-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]thiourea
CID 135789332

Frequently Asked Questions

What is the IUPAC name of 2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one (CID 135850085) is 2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one is CN(Cc1nc2ccccc2c(=O)[nH]1)C1CCCCCC1.
What is the InChIKey of 2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one?
The InChIKey is YNDZXWQWXIUKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20(13-8-4-2-3-5-9-13)12-16-18-15-11-7-6-10-14(15)17(21)19-16/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,18,19,21).
What are the key properties of 2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one?
2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one has a molecular weight of 285.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135850085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).