1-[2-(ethylamino)-3-methylpentyl]-3-methyl-4H-quinazolin-2-one

C17H27N3O — CID 82006345

IUPAC1-[2-(ethylamino)-3-methylpentyl]-3-methyl-4H-quinazolin-2-one
SMILESCCNC(CN1C(=O)N(C)Cc2ccccc21)C(C)CC
InChIInChI=1S/C17H27N3O/c1-5-13(3)15(18-6-2)12-20-16-10-8-7-9-14(16)11-19(4)17(20)21/h7-10,13,15,18H,5-6,11-12H2,1-4H3
InChIKeyRORLWWZVIBBNQT-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.08
Rot. Bonds6

About 1-[2-(ethylamino)-3-methylpentyl]-3-methyl-4H-quinazolin-2-one

1-[2-(ethylamino)-3-methylpentyl]-3-methyl-4H-quinazolin-2-one (PubChem CID 82006345) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[2-(ethylamino)-3-methylpentyl]-3-methyl-4H-quinazolin-2-one.

Molecular Properties

Compound Name1-[2-(ethylamino)-3-methylpentyl]-3-methyl-4H-quinazolin-2-one
PubChem CID82006345
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[2-(ethylamino)-3-methylpentyl]-3-methyl-4H-quinazolin-2-one
SMILESCCNC(CN1C(=O)N(C)Cc2ccccc21)C(C)CC
InChIInChI=1S/C17H27N3O/c1-5-13(3)15(18-6-2)12-20-16-10-8-7-9-14(16)11-19(4)17(20)21/h7-10,13,15,18H,5-6,11-12H2,1-4H3
InChIKeyRORLWWZVIBBNQT-UHFFFAOYSA-N
XLogP3.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(ethylamino)-3-methylpentyl]-3-methyl-4H-quinazolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-amino-3-methylpentyl)-3-methyl-4H-quinazolin-2-one
CID 82006387
1-[3-methoxy-2-(propylamino)propyl]-3-methyl-4H-quinazolin-2-one
CID 107506387
1-(3-amino-2-hydroxypropyl)-3-methyl-4H-quinazolin-2-one
CID 82006279
1-(3,3-diethoxypropyl)-3-methyl-4H-quinazolin-2-one
CID 82010171
2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetaldehyde
CID 82009959
tert-butyl 3-(3-methyl-2-oxo-4H-quinazolin-1-yl)propanoate
CID 116662774
1-[(4-iodophenyl)methyl]-3-methyl-4H-quinazolin-2-one
CID 82009512
1-[2-(chloromethyl)prop-2-enyl]-3-methyl-4H-quinazolin-2-one
CID 103065853
1,3-diethyl-4H-quinazolin-2-one
CID 22323562
1-(5-amino-4,4-dimethylpentyl)-3-methyl-4H-quinazolin-2-one
CID 82007450
1-(1,3-dihydroisoindol-2-yl)-N-ethylpropan-2-amine
CID 62205194
1-[(3-bromothiophen-2-yl)methyl]-3-methyl-4H-quinazolin-2-one
CID 82009150

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-3-methylpentyl]-3-methyl-4H-quinazolin-2-one?
The IUPAC name of 1-[2-(ethylamino)-3-methylpentyl]-3-methyl-4H-quinazolin-2-one (CID 82006345) is 1-[2-(ethylamino)-3-methylpentyl]-3-methyl-4H-quinazolin-2-one.
What is the SMILES notation for 1-[2-(ethylamino)-3-methylpentyl]-3-methyl-4H-quinazolin-2-one?
The canonical SMILES for 1-[2-(ethylamino)-3-methylpentyl]-3-methyl-4H-quinazolin-2-one is CCNC(CN1C(=O)N(C)Cc2ccccc21)C(C)CC.
What is the InChIKey of 1-[2-(ethylamino)-3-methylpentyl]-3-methyl-4H-quinazolin-2-one?
The InChIKey is RORLWWZVIBBNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-13(3)15(18-6-2)12-20-16-10-8-7-9-14(16)11-19(4)17(20)21/h7-10,13,15,18H,5-6,11-12H2,1-4H3.
What are the key properties of 1-[2-(ethylamino)-3-methylpentyl]-3-methyl-4H-quinazolin-2-one?
1-[2-(ethylamino)-3-methylpentyl]-3-methyl-4H-quinazolin-2-one has a molecular weight of 289.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-3-methylpentyl]-3-methyl-4H-quinazolin-2-one is sourced from PubChem (CID 82006345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).