2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine

C27H26N4O — CID 164926465

IUPAC2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C27H26N4O/c1-2-3-16-24-30-25-26(22-14-7-8-15-23(22)29-27(25)28)31(24)18-19-10-9-13-21(17-19)32-20-11-5-4-6-12-20/h4-15,17H,2-3,16,18H2,1H3,(H2,28,29)
InChIKeyPIBXSEJVAJAPFQ-UHFFFAOYSA-N
MW422.53 g/mol
LogP6.35
Rot. Bonds7

About 2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine

2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 164926465) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID164926465
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C27H26N4O/c1-2-3-16-24-30-25-26(22-14-7-8-15-23(22)29-27(25)28)31(24)18-19-10-9-13-21(17-19)32-20-11-5-4-6-12-20/h4-15,17H,2-3,16,18H2,1H3,(H2,28,29)
InChIKeyPIBXSEJVAJAPFQ-UHFFFAOYSA-N
XLogP6.35
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376197
2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359
2-butyl-1-(furan-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376202
2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]benzene-1,4-diol
CID 153143132
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
2-butyl-1-[(4-nitrophenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 90146175
2-butyl-1-[[3-[(tert-butylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;2-butyl-1-[[4-(3,3-dimethylbutyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 162258982
2-butyl-1-[[4-[(nonadecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138618993
[2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-4-dihydroxyphosphanyloxyphenyl] dihydrogen phosphite
CID 153388956
[4-(tert-butylamino)phenyl]methyl N-[[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 138645232
7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane
CID 169185513
tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 71472212

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine (CID 164926465) is 2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is PIBXSEJVAJAPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c1-2-3-16-24-30-25-26(22-14-7-8-15-23(22)29-27(25)28)31(24)18-19-10-9-13-21(17-19)32-20-11-5-4-6-12-20/h4-15,17H,2-3,16,18H2,1H3,(H2,28,29).
What are the key properties of 2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine?
2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 422.53 g/mol, XLogP of 6.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 164926465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).