N-tert-butyl-2-butyl-1-[[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine

C32H43N5 — CID 138645221

IUPACN-tert-butyl-2-butyl-1-[[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(NC(C)(C)C)nc3ccccc3c2n1Cc1ccc(CNCC2(C)CCC2)cc1
InChIInChI=1S/C32H43N5/c1-6-7-13-27-35-28-29(25-11-8-9-12-26(25)34-30(28)36-31(2,3)4)37(27)21-24-16-14-23(15-17-24)20-33-22-32(5)18-10-19-32/h8-9,11-12,14-17,33H,6-7,10,13,18-22H2,1-5H3,(H,34,36)
InChIKeyQDPRTEJXHIPZBR-UHFFFAOYSA-N
MW497.73 g/mol
LogP7.47
Rot. Bonds10

About N-tert-butyl-2-butyl-1-[[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine

N-tert-butyl-2-butyl-1-[[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 138645221) has the molecular formula C32H43N5 and a molecular weight of 497.73 g/mol. Its IUPAC name is N-tert-butyl-2-butyl-1-[[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-butyl-1-[[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID138645221
Molecular FormulaC32H43N5
Molecular Weight497.73 g/mol
Exact Mass497.35
IUPAC NameN-tert-butyl-2-butyl-1-[[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(NC(C)(C)C)nc3ccccc3c2n1Cc1ccc(CNCC2(C)CCC2)cc1
InChIInChI=1S/C32H43N5/c1-6-7-13-27-35-28-29(25-11-8-9-12-26(25)34-30(28)36-31(2,3)4)37(27)21-24-16-14-23(15-17-24)20-33-22-32(5)18-10-19-32/h8-9,11-12,14-17,33H,6-7,10,13,18-22H2,1-5H3,(H,34,36)
InChIKeyQDPRTEJXHIPZBR-UHFFFAOYSA-N
XLogP7.47
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.73
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-butyl-1-[[4-[[2-(1-methylcyclopropyl)ethylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138645015
N-tert-butyl-2-butyl-1-[[4-[(tridecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138645006
N-tert-butyl-2-butyl-1-[[4-[(2-cyclopropylethylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138645277
N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropylacetamide
CID 138645379
N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]tetradecanamide
CID 138645098
N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]octanamide
CID 138645094
N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]tridecanamide
CID 138644999
N-tert-butyl-2-butyl-1-[[4-[(2-cyclopropylethylamino)methyl]-2,6-bis(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138645017
1-(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)-2-methylhydrazine
CID 126700153
[4-(tert-butylamino)phenyl]methyl N-[2-butyl-1-[[4-[(2-cyclobutylethylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-yl]carbamate
CID 138645146
2-butyl-1-[[4-[(nonadecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138618993
(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)hydrazine;bis(2,2,2-trifluoroacetic acid)
CID 46831373

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-butyl-1-[[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of N-tert-butyl-2-butyl-1-[[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine (CID 138645221) is N-tert-butyl-2-butyl-1-[[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for N-tert-butyl-2-butyl-1-[[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for N-tert-butyl-2-butyl-1-[[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(NC(C)(C)C)nc3ccccc3c2n1Cc1ccc(CNCC2(C)CCC2)cc1.
What is the InChIKey of N-tert-butyl-2-butyl-1-[[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is QDPRTEJXHIPZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N5/c1-6-7-13-27-35-28-29(25-11-8-9-12-26(25)34-30(28)36-31(2,3)4)37(27)21-24-16-14-23(15-17-24)20-33-22-32(5)18-10-19-32/h8-9,11-12,14-17,33H,6-7,10,13,18-22H2,1-5H3,(H,34,36).
What are the key properties of N-tert-butyl-2-butyl-1-[[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine?
N-tert-butyl-2-butyl-1-[[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 497.73 g/mol, XLogP of 7.47, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-butyl-1-[[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 138645221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).