1-(3-aminobutyl)-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-4-amine

C23H27N5O — CID 22344427

IUPAC1-(3-aminobutyl)-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-4-amine
SMILESCC(N)CCn1c(CCCOc2ccccc2)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C23H27N5O/c1-16(24)13-14-28-20(12-7-15-29-17-8-3-2-4-9-17)27-21-22(28)18-10-5-6-11-19(18)26-23(21)25/h2-6,8-11,16H,7,12-15,24H2,1H3,(H2,25,26)
InChIKeyWEDAMQZTNRHKAK-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.92
Rot. Bonds8

About 1-(3-aminobutyl)-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-4-amine

1-(3-aminobutyl)-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-4-amine (PubChem CID 22344427) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-(3-aminobutyl)-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-(3-aminobutyl)-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-4-amine
PubChem CID22344427
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name1-(3-aminobutyl)-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-4-amine
SMILESCC(N)CCn1c(CCCOc2ccccc2)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C23H27N5O/c1-16(24)13-14-28-20(12-7-15-29-17-8-3-2-4-9-17)27-21-22(28)18-10-5-6-11-19(18)26-23(21)25/h2-6,8-11,16H,7,12-15,24H2,1H3,(H2,25,26)
InChIKeyWEDAMQZTNRHKAK-UHFFFAOYSA-N
XLogP3.92
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobutyl)-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-(3-aminobutyl)-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-4-amine (CID 22344427) is 1-(3-aminobutyl)-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-(3-aminobutyl)-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-(3-aminobutyl)-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-4-amine is CC(N)CCn1c(CCCOc2ccccc2)nc2c(N)nc3ccccc3c21.
What is the InChIKey of 1-(3-aminobutyl)-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-4-amine?
The InChIKey is WEDAMQZTNRHKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-16(24)13-14-28-20(12-7-15-29-17-8-3-2-4-9-17)27-21-22(28)18-10-5-6-11-19(18)26-23(21)25/h2-6,8-11,16H,7,12-15,24H2,1H3,(H2,25,26).
What are the key properties of 1-(3-aminobutyl)-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-4-amine?
1-(3-aminobutyl)-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-4-amine has a molecular weight of 389.50 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobutyl)-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 22344427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).