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

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).