6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one

C15H20ClN3O — CID 136674412

IUPAC6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
SMILESCC(C)CCN(C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1
InChIInChI=1S/C15H20ClN3O/c1-10(2)6-7-19(3)9-14-17-13-5-4-11(16)8-12(13)15(20)18-14/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,18,20)
InChIKeyWOCJJBUPIMRLSQ-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.05
Rot. Bonds5

About 6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one

6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one (PubChem CID 136674412) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
PubChem CID136674412
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
SMILESCC(C)CCN(C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1
InChIInChI=1S/C15H20ClN3O/c1-10(2)6-7-19(3)9-14-17-13-5-4-11(16)8-12(13)15(20)18-14/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,18,20)
InChIKeyWOCJJBUPIMRLSQ-UHFFFAOYSA-N
XLogP3.05
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 162424449
6-chloro-2-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135570353
6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135925758
6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 156870467
6-chloro-2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3H-quinazolin-4-one
CID 136737808
2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 135950012
6-chloro-2-[(N,3-dimethylanilino)methyl]-3H-quinazolin-4-one
CID 156870496
6-chloro-2-[(2-methoxy-N-methylanilino)methyl]-3H-quinazolin-4-one
CID 156870507
6-chloro-2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one
CID 137201177
2,6-dichloro-3H-quinazolin-4-one
CID 135742281
7-chloro-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135722541
7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135811769

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one (CID 136674412) is 6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one is CC(C)CCN(C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1.
What is the InChIKey of 6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one?
The InChIKey is WOCJJBUPIMRLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-10(2)6-7-19(3)9-14-17-13-5-4-11(16)8-12(13)15(20)18-14/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,18,20).
What are the key properties of 6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one?
6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one has a molecular weight of 293.80 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136674412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).