2-butyl-1-[(4-phenylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine

C27H26N4 — CID 52941850

IUPAC2-butyl-1-[(4-phenylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H26N4/c1-2-3-13-24-30-25-26(22-11-7-8-12-23(22)29-27(25)28)31(24)18-19-14-16-21(17-15-19)20-9-5-4-6-10-20/h4-12,14-17H,2-3,13,18H2,1H3,(H2,28,29)
InChIKeyUWRCUKBQVVLKLL-UHFFFAOYSA-N
MW406.53 g/mol
LogP6.22
Rot. Bonds6

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

2-butyl-1-[(4-phenylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 52941850) has the molecular formula C27H26N4 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-butyl-1-[(4-phenylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butyl-1-[(4-phenylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID52941850
Molecular FormulaC27H26N4
Molecular Weight406.53 g/mol
Exact Mass406.22
IUPAC Name2-butyl-1-[(4-phenylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H26N4/c1-2-3-13-24-30-25-26(22-11-7-8-12-23(22)29-27(25)28)31(24)18-19-14-16-21(17-15-19)20-9-5-4-6-10-20/h4-12,14-17H,2-3,13,18H2,1H3,(H2,28,29)
InChIKeyUWRCUKBQVVLKLL-UHFFFAOYSA-N
XLogP6.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[(4-phenylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-butyl-1-[(4-phenylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine (CID 52941850) is 2-butyl-1-[(4-phenylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-butyl-1-[(4-phenylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-butyl-1-[(4-phenylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-butyl-1-[(4-phenylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is UWRCUKBQVVLKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4/c1-2-3-13-24-30-25-26(22-11-7-8-12-23(22)29-27(25)28)31(24)18-19-14-16-21(17-15-19)20-9-5-4-6-10-20/h4-12,14-17H,2-3,13,18H2,1H3,(H2,28,29).
What are the key properties of 2-butyl-1-[(4-phenylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine?
2-butyl-1-[(4-phenylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 406.53 g/mol, XLogP of 6.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[(4-phenylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 52941850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).