1-N-(3-aminopropyl)-2-methylimidazo[4,5-c]quinoline-1,4-diamine

C14H18N6 — CID 86626930

IUPAC1-N-(3-aminopropyl)-2-methylimidazo[4,5-c]quinoline-1,4-diamine
SMILESCc1nc2c(N)nc3ccccc3c2n1NCCCN
InChIInChI=1S/C14H18N6/c1-9-18-12-13(20(9)17-8-4-7-15)10-5-2-3-6-11(10)19-14(12)16/h2-3,5-6,17H,4,7-8,15H2,1H3,(H2,16,19)
InChIKeyDUDRNRPVGNCCCU-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.37
Rot. Bonds4

About 1-N-(3-aminopropyl)-2-methylimidazo[4,5-c]quinoline-1,4-diamine

1-N-(3-aminopropyl)-2-methylimidazo[4,5-c]quinoline-1,4-diamine (PubChem CID 86626930) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-N-(3-aminopropyl)-2-methylimidazo[4,5-c]quinoline-1,4-diamine.

Molecular Properties

Compound Name1-N-(3-aminopropyl)-2-methylimidazo[4,5-c]quinoline-1,4-diamine
PubChem CID86626930
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name1-N-(3-aminopropyl)-2-methylimidazo[4,5-c]quinoline-1,4-diamine
SMILESCc1nc2c(N)nc3ccccc3c2n1NCCCN
InChIInChI=1S/C14H18N6/c1-9-18-12-13(20(9)17-8-4-7-15)10-5-2-3-6-11(10)19-14(12)16/h2-3,5-6,17H,4,7-8,15H2,1H3,(H2,16,19)
InChIKeyDUDRNRPVGNCCCU-UHFFFAOYSA-N
XLogP1.37
TPSA94.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide
CID 23512692
N-[3-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)propyl]butanamide
CID 23512673
1-methyl-2-(methylaminomethyl)imidazo[4,5-c]quinolin-4-amine
CID 59796097
1-(3-aminopropyl)imidazo[4,5-c]quinolin-4-amine
CID 18783973
1-(3-aminopropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 22344434
1-(3-aminopropyl)-2-[(propan-2-ylamino)oxymethyl]imidazo[4,5-c]quinolin-4-amine
CID 143051873
2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 143284618
2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 142032833
2-N-butyl-1-propylimidazo[4,5-c]quinoline-2,4-diamine;ethane
CID 143201895
1-(2-methylpropyl)-2-phenylimidazo[4,5-c]quinolin-4-amine
CID 11209291
1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 154682639
2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine
CID 11630397

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-aminopropyl)-2-methylimidazo[4,5-c]quinoline-1,4-diamine?
The IUPAC name of 1-N-(3-aminopropyl)-2-methylimidazo[4,5-c]quinoline-1,4-diamine (CID 86626930) is 1-N-(3-aminopropyl)-2-methylimidazo[4,5-c]quinoline-1,4-diamine.
What is the SMILES notation for 1-N-(3-aminopropyl)-2-methylimidazo[4,5-c]quinoline-1,4-diamine?
The canonical SMILES for 1-N-(3-aminopropyl)-2-methylimidazo[4,5-c]quinoline-1,4-diamine is Cc1nc2c(N)nc3ccccc3c2n1NCCCN.
What is the InChIKey of 1-N-(3-aminopropyl)-2-methylimidazo[4,5-c]quinoline-1,4-diamine?
The InChIKey is DUDRNRPVGNCCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-9-18-12-13(20(9)17-8-4-7-15)10-5-2-3-6-11(10)19-14(12)16/h2-3,5-6,17H,4,7-8,15H2,1H3,(H2,16,19).
What are the key properties of 1-N-(3-aminopropyl)-2-methylimidazo[4,5-c]quinoline-1,4-diamine?
1-N-(3-aminopropyl)-2-methylimidazo[4,5-c]quinoline-1,4-diamine has a molecular weight of 270.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-aminopropyl)-2-methylimidazo[4,5-c]quinoline-1,4-diamine is sourced from PubChem (CID 86626930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).