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

C22H24N4O — CID 164926425

IUPAC2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(OC)cc1
InChIInChI=1S/C22H24N4O/c1-3-4-9-19-25-20-21(17-7-5-6-8-18(17)24-22(20)23)26(19)14-15-10-12-16(27-2)13-11-15/h5-8,10-13H,3-4,9,14H2,1-2H3,(H2,23,24)
InChIKeyOXWILHPCXGMGNW-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.57
Rot. Bonds6

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

2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 164926425) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID164926425
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(OC)cc1
InChIInChI=1S/C22H24N4O/c1-3-4-9-19-25-20-21(17-7-5-6-8-18(17)24-22(20)23)26(19)14-15-10-12-16(27-2)13-11-15/h5-8,10-13H,3-4,9,14H2,1-2H3,(H2,23,24)
InChIKeyOXWILHPCXGMGNW-UHFFFAOYSA-N
XLogP4.57
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine (CID 164926425) is 2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(OC)cc1.
What is the InChIKey of 2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is OXWILHPCXGMGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-4-9-19-25-20-21(17-7-5-6-8-18(17)24-22(20)23)26(19)14-15-10-12-16(27-2)13-11-15/h5-8,10-13H,3-4,9,14H2,1-2H3,(H2,23,24).
What are the key properties of 2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine?
2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 360.46 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 164926425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).