1-[[4-(aminomethyl)phenyl]methyl]-2-methylimidazo[4,5-c]quinoline-4,8-diamine

C19H20N6 — CID 126540608

IUPAC1-[[4-(aminomethyl)phenyl]methyl]-2-methylimidazo[4,5-c]quinoline-4,8-diamine
SMILESCc1nc2c(N)nc3ccc(N)cc3c2n1Cc1ccc(CN)cc1
InChIInChI=1S/C19H20N6/c1-11-23-17-18(15-8-14(21)6-7-16(15)24-19(17)22)25(11)10-13-4-2-12(9-20)3-5-13/h2-8H,9-10,20-21H2,1H3,(H2,22,24)
InChIKeyWBXBMMLLLODXNS-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.56
Rot. Bonds3

About 1-[[4-(aminomethyl)phenyl]methyl]-2-methylimidazo[4,5-c]quinoline-4,8-diamine

1-[[4-(aminomethyl)phenyl]methyl]-2-methylimidazo[4,5-c]quinoline-4,8-diamine (PubChem CID 126540608) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)phenyl]methyl]-2-methylimidazo[4,5-c]quinoline-4,8-diamine.

Molecular Properties

Compound Name1-[[4-(aminomethyl)phenyl]methyl]-2-methylimidazo[4,5-c]quinoline-4,8-diamine
PubChem CID126540608
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name1-[[4-(aminomethyl)phenyl]methyl]-2-methylimidazo[4,5-c]quinoline-4,8-diamine
SMILESCc1nc2c(N)nc3ccc(N)cc3c2n1Cc1ccc(CN)cc1
InChIInChI=1S/C19H20N6/c1-11-23-17-18(15-8-14(21)6-7-16(15)24-19(17)22)25(11)10-13-4-2-12(9-20)3-5-13/h2-8H,9-10,20-21H2,1H3,(H2,22,24)
InChIKeyWBXBMMLLLODXNS-UHFFFAOYSA-N
XLogP2.56
TPSA108.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]-2-methylimidazo[4,5-c]quinoline-4,8-diamine?
The IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]-2-methylimidazo[4,5-c]quinoline-4,8-diamine (CID 126540608) is 1-[[4-(aminomethyl)phenyl]methyl]-2-methylimidazo[4,5-c]quinoline-4,8-diamine.
What is the SMILES notation for 1-[[4-(aminomethyl)phenyl]methyl]-2-methylimidazo[4,5-c]quinoline-4,8-diamine?
The canonical SMILES for 1-[[4-(aminomethyl)phenyl]methyl]-2-methylimidazo[4,5-c]quinoline-4,8-diamine is Cc1nc2c(N)nc3ccc(N)cc3c2n1Cc1ccc(CN)cc1.
What is the InChIKey of 1-[[4-(aminomethyl)phenyl]methyl]-2-methylimidazo[4,5-c]quinoline-4,8-diamine?
The InChIKey is WBXBMMLLLODXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-11-23-17-18(15-8-14(21)6-7-16(15)24-19(17)22)25(11)10-13-4-2-12(9-20)3-5-13/h2-8H,9-10,20-21H2,1H3,(H2,22,24).
What are the key properties of 1-[[4-(aminomethyl)phenyl]methyl]-2-methylimidazo[4,5-c]quinoline-4,8-diamine?
1-[[4-(aminomethyl)phenyl]methyl]-2-methylimidazo[4,5-c]quinoline-4,8-diamine has a molecular weight of 332.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)phenyl]methyl]-2-methylimidazo[4,5-c]quinoline-4,8-diamine is sourced from PubChem (CID 126540608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).