1-N-[(4-methoxyphenyl)methyl]-3-N-(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)benzene-1,3-diamine

C25H23N5O — CID 136502431

IUPAC1-N-[(4-methoxyphenyl)methyl]-3-N-(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)benzene-1,3-diamine
SMILESCOc1ccc(CNc2cccc(Nc3cc(C)[nH]c4ccc5ncnc5c34)c2)cc1
InChIInChI=1S/C25H23N5O/c1-16-12-23(24-21(29-16)10-11-22-25(24)28-15-27-22)30-19-5-3-4-18(13-19)26-14-17-6-8-20(31-2)9-7-17/h3-13,15,26,29-30H,14H2,1-2H3
InChIKeyNZEVTARCJOPSAC-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.78
Rot. Bonds6

About 1-N-[(4-methoxyphenyl)methyl]-3-N-(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)benzene-1,3-diamine

1-N-[(4-methoxyphenyl)methyl]-3-N-(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)benzene-1,3-diamine (PubChem CID 136502431) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-N-[(4-methoxyphenyl)methyl]-3-N-(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[(4-methoxyphenyl)methyl]-3-N-(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)benzene-1,3-diamine
PubChem CID136502431
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name1-N-[(4-methoxyphenyl)methyl]-3-N-(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)benzene-1,3-diamine
SMILESCOc1ccc(CNc2cccc(Nc3cc(C)[nH]c4ccc5ncnc5c34)c2)cc1
InChIInChI=1S/C25H23N5O/c1-16-12-23(24-21(29-16)10-11-22-25(24)28-15-27-22)30-19-5-3-4-18(13-19)26-14-17-6-8-20(31-2)9-7-17/h3-13,15,26,29-30H,14H2,1-2H3
InChIKeyNZEVTARCJOPSAC-UHFFFAOYSA-N
XLogP5.78
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-N-[(4-methoxyphenyl)methyl]-3-N-(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)benzene-1,3-diamine 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 1-N-[(4-methoxyphenyl)methyl]-3-N-(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)benzene-1,3-diamine?
The IUPAC name of 1-N-[(4-methoxyphenyl)methyl]-3-N-(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)benzene-1,3-diamine (CID 136502431) is 1-N-[(4-methoxyphenyl)methyl]-3-N-(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)benzene-1,3-diamine.
What is the SMILES notation for 1-N-[(4-methoxyphenyl)methyl]-3-N-(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)benzene-1,3-diamine?
The canonical SMILES for 1-N-[(4-methoxyphenyl)methyl]-3-N-(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)benzene-1,3-diamine is COc1ccc(CNc2cccc(Nc3cc(C)[nH]c4ccc5ncnc5c34)c2)cc1.
What is the InChIKey of 1-N-[(4-methoxyphenyl)methyl]-3-N-(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)benzene-1,3-diamine?
The InChIKey is NZEVTARCJOPSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-16-12-23(24-21(29-16)10-11-22-25(24)28-15-27-22)30-19-5-3-4-18(13-19)26-14-17-6-8-20(31-2)9-7-17/h3-13,15,26,29-30H,14H2,1-2H3.
What are the key properties of 1-N-[(4-methoxyphenyl)methyl]-3-N-(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)benzene-1,3-diamine?
1-N-[(4-methoxyphenyl)methyl]-3-N-(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)benzene-1,3-diamine has a molecular weight of 409.49 g/mol, XLogP of 5.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-methoxyphenyl)methyl]-3-N-(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)benzene-1,3-diamine is sourced from PubChem (CID 136502431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).