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

C18H17N5O — CID 135414394

IUPAC6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESCc1ccc(CCc2c3nc[nH]c3cc3c(=O)[nH]c(N)nc23)cc1
InChIInChI=1S/C18H17N5O/c1-10-2-4-11(5-3-10)6-7-12-15-13(17(24)23-18(19)22-15)8-14-16(12)21-9-20-14/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H3,19,22,23,24)
InChIKeySPVJRTJUEVXOMS-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.48
Rot. Bonds3

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

6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (PubChem CID 135414394) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
PubChem CID135414394
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESCc1ccc(CCc2c3nc[nH]c3cc3c(=O)[nH]c(N)nc23)cc1
InChIInChI=1S/C18H17N5O/c1-10-2-4-11(5-3-10)6-7-12-15-13(17(24)23-18(19)22-15)8-14-16(12)21-9-20-14/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H3,19,22,23,24)
InChIKeySPVJRTJUEVXOMS-UHFFFAOYSA-N
XLogP2.48
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The IUPAC name of 6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (CID 135414394) is 6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The canonical SMILES for 6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is Cc1ccc(CCc2c3nc[nH]c3cc3c(=O)[nH]c(N)nc23)cc1.
What is the InChIKey of 6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The InChIKey is SPVJRTJUEVXOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-10-2-4-11(5-3-10)6-7-12-15-13(17(24)23-18(19)22-15)8-14-16(12)21-9-20-14/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H3,19,22,23,24).
What are the key properties of 6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one has a molecular weight of 319.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 135414394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).