6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

C18H17N5O2 — CID 135476766

IUPAC6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESCOc1ccc(CCc2c3nc[nH]c3cc3c(=O)[nH]c(N)nc23)cc1
InChIInChI=1S/C18H17N5O2/c1-25-11-5-2-10(3-6-11)4-7-12-15-13(17(24)23-18(19)22-15)8-14-16(12)21-9-20-14/h2-3,5-6,8-9H,4,7H2,1H3,(H,20,21)(H3,19,22,23,24)
InChIKeyUKRVQKUVWNDGMN-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.18
Rot. Bonds4

About 6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (PubChem CID 135476766) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
PubChem CID135476766
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESCOc1ccc(CCc2c3nc[nH]c3cc3c(=O)[nH]c(N)nc23)cc1
InChIInChI=1S/C18H17N5O2/c1-25-11-5-2-10(3-6-11)4-7-12-15-13(17(24)23-18(19)22-15)8-14-16(12)21-9-20-14/h2-3,5-6,8-9H,4,7H2,1H3,(H,20,21)(H3,19,22,23,24)
InChIKeyUKRVQKUVWNDGMN-UHFFFAOYSA-N
XLogP2.18
TPSA109.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-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 6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The IUPAC name of 6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (CID 135476766) is 6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The canonical SMILES for 6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is COc1ccc(CCc2c3nc[nH]c3cc3c(=O)[nH]c(N)nc23)cc1.
What is the InChIKey of 6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The InChIKey is UKRVQKUVWNDGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-25-11-5-2-10(3-6-11)4-7-12-15-13(17(24)23-18(19)22-15)8-14-16(12)21-9-20-14/h2-3,5-6,8-9H,4,7H2,1H3,(H,20,21)(H3,19,22,23,24).
What are the key properties of 6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one has a molecular weight of 335.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 135476766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).