8-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylcyclobutyl)imidazo[4,5-c]quinolin-2-imine

C25H26ClN5O — CID 146249032

IUPAC8-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylcyclobutyl)imidazo[4,5-c]quinolin-2-imine
SMILES[H]/N=c1\n(C)c2cnc3ccc(-c4ccc(Cl)cc4)cc3c2n1C1CC(N2CCOCC2)C1
InChIInChI=1S/C25H26ClN5O/c1-29-23-15-28-22-7-4-17(16-2-5-18(26)6-3-16)12-21(22)24(23)31(25(29)27)20-13-19(14-20)30-8-10-32-11-9-30/h2-7,12,15,19-20,27H,8-11,13-14H2,1H3/b27-25+
InChIKeyQOGFZLBNZCHBCJ-IMVLJIQESA-N
MW447.97 g/mol
LogP4.36
Rot. Bonds3

About 8-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylcyclobutyl)imidazo[4,5-c]quinolin-2-imine

8-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylcyclobutyl)imidazo[4,5-c]quinolin-2-imine (PubChem CID 146249032) has the molecular formula C25H26ClN5O and a molecular weight of 447.97 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylcyclobutyl)imidazo[4,5-c]quinolin-2-imine.

Molecular Properties

Compound Name8-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylcyclobutyl)imidazo[4,5-c]quinolin-2-imine
PubChem CID146249032
Molecular FormulaC25H26ClN5O
Molecular Weight447.97 g/mol
Exact Mass447.18
IUPAC Name8-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylcyclobutyl)imidazo[4,5-c]quinolin-2-imine
SMILES[H]/N=c1\n(C)c2cnc3ccc(-c4ccc(Cl)cc4)cc3c2n1C1CC(N2CCOCC2)C1
InChIInChI=1S/C25H26ClN5O/c1-29-23-15-28-22-7-4-17(16-2-5-18(26)6-3-16)12-21(22)24(23)31(25(29)27)20-13-19(14-20)30-8-10-32-11-9-30/h2-7,12,15,19-20,27H,8-11,13-14H2,1H3/b27-25+
InChIKeyQOGFZLBNZCHBCJ-IMVLJIQESA-N
XLogP4.36
TPSA59.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylcyclobutyl)imidazo[4,5-c]quinolin-2-imine?
The IUPAC name of 8-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylcyclobutyl)imidazo[4,5-c]quinolin-2-imine (CID 146249032) is 8-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylcyclobutyl)imidazo[4,5-c]quinolin-2-imine.
What is the SMILES notation for 8-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylcyclobutyl)imidazo[4,5-c]quinolin-2-imine?
The canonical SMILES for 8-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylcyclobutyl)imidazo[4,5-c]quinolin-2-imine is [H]/N=c1\n(C)c2cnc3ccc(-c4ccc(Cl)cc4)cc3c2n1C1CC(N2CCOCC2)C1.
What is the InChIKey of 8-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylcyclobutyl)imidazo[4,5-c]quinolin-2-imine?
The InChIKey is QOGFZLBNZCHBCJ-IMVLJIQESA-N. The full InChI is InChI=1S/C25H26ClN5O/c1-29-23-15-28-22-7-4-17(16-2-5-18(26)6-3-16)12-21(22)24(23)31(25(29)27)20-13-19(14-20)30-8-10-32-11-9-30/h2-7,12,15,19-20,27H,8-11,13-14H2,1H3/b27-25+.
What are the key properties of 8-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylcyclobutyl)imidazo[4,5-c]quinolin-2-imine?
8-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylcyclobutyl)imidazo[4,5-c]quinolin-2-imine has a molecular weight of 447.97 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylcyclobutyl)imidazo[4,5-c]quinolin-2-imine is sourced from PubChem (CID 146249032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).