3-ethyl-8-[(4-methoxyphenyl)methylamino]-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride

C19H20ClN5O2 — CID 22921774

IUPAC3-ethyl-8-[(4-methoxyphenyl)methylamino]-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride
SMILESCCn1c(=O)[nH]c2cc3c(NCc4ccc(OC)cc4)ncnc3cc21.Cl
InChIInChI=1S/C19H19N5O2.ClH/c1-3-24-17-9-15-14(8-16(17)23-19(24)25)18(22-11-21-15)20-10-12-4-6-13(26-2)7-5-12;/h4-9,11H,3,10H2,1-2H3,(H,23,25)(H,20,21,22);1H
InChIKeyYVIODHPZHVDXHK-UHFFFAOYSA-N
MW385.86 g/mol
LogP3.34
Rot. Bonds5

About 3-ethyl-8-[(4-methoxyphenyl)methylamino]-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride

3-ethyl-8-[(4-methoxyphenyl)methylamino]-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride (PubChem CID 22921774) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 3-ethyl-8-[(4-methoxyphenyl)methylamino]-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride.

Molecular Properties

Compound Name3-ethyl-8-[(4-methoxyphenyl)methylamino]-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride
PubChem CID22921774
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name3-ethyl-8-[(4-methoxyphenyl)methylamino]-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride
SMILESCCn1c(=O)[nH]c2cc3c(NCc4ccc(OC)cc4)ncnc3cc21.Cl
InChIInChI=1S/C19H19N5O2.ClH/c1-3-24-17-9-15-14(8-16(17)23-19(24)25)18(22-11-21-15)20-10-12-4-6-13(26-2)7-5-12;/h4-9,11H,3,10H2,1-2H3,(H,23,25)(H,20,21,22);1H
InChIKeyYVIODHPZHVDXHK-UHFFFAOYSA-N
XLogP3.34
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-8-[(4-methoxyphenyl)methylamino]-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride with MolForge

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Related Compounds

8-[(4-chlorophenyl)methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride
CID 22921755
3-ethyl-8-[[4-(methylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
CID 15480528
3-ethyl-8-[[2-(2-methoxyethylamino)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
CID 23293023
8-[[2-[3-(dimethylamino)propoxy]phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one
CID 21465406
3-ethyl-8-[[2-(2-piperidin-1-ylethoxy)phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
CID 67693856
3-ethyl-8-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylamino]-1H-imidazo[4,5-g]quinazolin-2-one
CID 67693939
N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine
CID 167659658
8-(4-methoxyanilino)-3-(2-methylpropyl)-1H-imidazo[4,5-g]quinazoline-2-thione
CID 102381738
3-ethyl-8-(thiophen-2-ylmethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione
CID 57098572
bis[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenoxy]-oxophosphanium
CID 155026757
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinazolin-4-amine
CID 155524525

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-[(4-methoxyphenyl)methylamino]-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride?
The IUPAC name of 3-ethyl-8-[(4-methoxyphenyl)methylamino]-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride (CID 22921774) is 3-ethyl-8-[(4-methoxyphenyl)methylamino]-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride.
What is the SMILES notation for 3-ethyl-8-[(4-methoxyphenyl)methylamino]-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride?
The canonical SMILES for 3-ethyl-8-[(4-methoxyphenyl)methylamino]-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride is CCn1c(=O)[nH]c2cc3c(NCc4ccc(OC)cc4)ncnc3cc21.Cl.
What is the InChIKey of 3-ethyl-8-[(4-methoxyphenyl)methylamino]-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride?
The InChIKey is YVIODHPZHVDXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2.ClH/c1-3-24-17-9-15-14(8-16(17)23-19(24)25)18(22-11-21-15)20-10-12-4-6-13(26-2)7-5-12;/h4-9,11H,3,10H2,1-2H3,(H,23,25)(H,20,21,22);1H.
What are the key properties of 3-ethyl-8-[(4-methoxyphenyl)methylamino]-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride?
3-ethyl-8-[(4-methoxyphenyl)methylamino]-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride has a molecular weight of 385.86 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-[(4-methoxyphenyl)methylamino]-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride is sourced from PubChem (CID 22921774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).