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

C18H17Cl2N5O — CID 22921755

IUPAC8-[(4-chlorophenyl)methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride
SMILESCCn1c(=O)[nH]c2cc3c(NCc4ccc(Cl)cc4)ncnc3cc21.Cl
InChIInChI=1S/C18H16ClN5O.ClH/c1-2-24-16-8-14-13(7-15(16)23-18(24)25)17(22-10-21-14)20-9-11-3-5-12(19)6-4-11;/h3-8,10H,2,9H2,1H3,(H,23,25)(H,20,21,22);1H
InChIKeyBIVAVNLBIYBNNW-UHFFFAOYSA-N
MW390.27 g/mol
LogP3.98
Rot. Bonds4

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

8-[(4-chlorophenyl)methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride (PubChem CID 22921755) has the molecular formula C18H17Cl2N5O and a molecular weight of 390.27 g/mol. Its IUPAC name is 8-[(4-chlorophenyl)methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride.

Molecular Properties

Compound Name8-[(4-chlorophenyl)methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride
PubChem CID22921755
Molecular FormulaC18H17Cl2N5O
Molecular Weight390.27 g/mol
Exact Mass389.08
IUPAC Name8-[(4-chlorophenyl)methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride
SMILESCCn1c(=O)[nH]c2cc3c(NCc4ccc(Cl)cc4)ncnc3cc21.Cl
InChIInChI=1S/C18H16ClN5O.ClH/c1-2-24-16-8-14-13(7-15(16)23-18(24)25)17(22-10-21-14)20-9-11-3-5-12(19)6-4-11;/h3-8,10H,2,9H2,1H3,(H,23,25)(H,20,21,22);1H
InChIKeyBIVAVNLBIYBNNW-UHFFFAOYSA-N
XLogP3.98
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorophenyl)methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride?
The IUPAC name of 8-[(4-chlorophenyl)methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride (CID 22921755) is 8-[(4-chlorophenyl)methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride.
What is the SMILES notation for 8-[(4-chlorophenyl)methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride?
The canonical SMILES for 8-[(4-chlorophenyl)methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride is CCn1c(=O)[nH]c2cc3c(NCc4ccc(Cl)cc4)ncnc3cc21.Cl.
What is the InChIKey of 8-[(4-chlorophenyl)methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride?
The InChIKey is BIVAVNLBIYBNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O.ClH/c1-2-24-16-8-14-13(7-15(16)23-18(24)25)17(22-10-21-14)20-9-11-3-5-12(19)6-4-11;/h3-8,10H,2,9H2,1H3,(H,23,25)(H,20,21,22);1H.
What are the key properties of 8-[(4-chlorophenyl)methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride?
8-[(4-chlorophenyl)methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride has a molecular weight of 390.27 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorophenyl)methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride is sourced from PubChem (CID 22921755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).