2-butyl-1-(naphthalen-1-ylmethyl)imidazo[4,5-c]quinolin-4-amine

C25H24N4 — CID 52946707

IUPAC2-butyl-1-(naphthalen-1-ylmethyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc2ccccc12
InChIInChI=1S/C25H24N4/c1-2-3-15-22-28-23-24(20-13-6-7-14-21(20)27-25(23)26)29(22)16-18-11-8-10-17-9-4-5-12-19(17)18/h4-14H,2-3,15-16H2,1H3,(H2,26,27)
InChIKeyRCQVEFYVOIRCLR-UHFFFAOYSA-N
MW380.50 g/mol
LogP5.71
Rot. Bonds5

About 2-butyl-1-(naphthalen-1-ylmethyl)imidazo[4,5-c]quinolin-4-amine

2-butyl-1-(naphthalen-1-ylmethyl)imidazo[4,5-c]quinolin-4-amine (PubChem CID 52946707) has the molecular formula C25H24N4 and a molecular weight of 380.50 g/mol. Its IUPAC name is 2-butyl-1-(naphthalen-1-ylmethyl)imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butyl-1-(naphthalen-1-ylmethyl)imidazo[4,5-c]quinolin-4-amine
PubChem CID52946707
Molecular FormulaC25H24N4
Molecular Weight380.50 g/mol
Exact Mass380.20
IUPAC Name2-butyl-1-(naphthalen-1-ylmethyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc2ccccc12
InChIInChI=1S/C25H24N4/c1-2-3-15-22-28-23-24(20-13-6-7-14-21(20)27-25(23)26)29(22)16-18-11-8-10-17-9-4-5-12-19(17)18/h4-14H,2-3,15-16H2,1H3,(H2,26,27)
InChIKeyRCQVEFYVOIRCLR-UHFFFAOYSA-N
XLogP5.71
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.50
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(naphthalen-1-ylmethyl)imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-butyl-1-(naphthalen-1-ylmethyl)imidazo[4,5-c]quinolin-4-amine (CID 52946707) is 2-butyl-1-(naphthalen-1-ylmethyl)imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-butyl-1-(naphthalen-1-ylmethyl)imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-butyl-1-(naphthalen-1-ylmethyl)imidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc2ccccc12.
What is the InChIKey of 2-butyl-1-(naphthalen-1-ylmethyl)imidazo[4,5-c]quinolin-4-amine?
The InChIKey is RCQVEFYVOIRCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4/c1-2-3-15-22-28-23-24(20-13-6-7-14-21(20)27-25(23)26)29(22)16-18-11-8-10-17-9-4-5-12-19(17)18/h4-14H,2-3,15-16H2,1H3,(H2,26,27).
What are the key properties of 2-butyl-1-(naphthalen-1-ylmethyl)imidazo[4,5-c]quinolin-4-amine?
2-butyl-1-(naphthalen-1-ylmethyl)imidazo[4,5-c]quinolin-4-amine has a molecular weight of 380.50 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(naphthalen-1-ylmethyl)imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 52946707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).