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

C31H41N5 — CID 138645277

IUPACN-tert-butyl-2-butyl-1-[[4-[(2-cyclopropylethylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(NC(C)(C)C)nc3ccccc3c2n1Cc1ccc(CNCCC2CC2)cc1
InChIInChI=1S/C31H41N5/c1-5-6-11-27-34-28-29(25-9-7-8-10-26(25)33-30(28)35-31(2,3)4)36(27)21-24-16-14-23(15-17-24)20-32-19-18-22-12-13-22/h7-10,14-17,22,32H,5-6,11-13,18-21H2,1-4H3,(H,33,35)
InChIKeySGJNTXHEOSUCAQ-UHFFFAOYSA-N
MW483.70 g/mol
LogP7.08
Rot. Bonds11

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

N-tert-butyl-2-butyl-1-[[4-[(2-cyclopropylethylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 138645277) has the molecular formula C31H41N5 and a molecular weight of 483.70 g/mol. Its IUPAC name is N-tert-butyl-2-butyl-1-[[4-[(2-cyclopropylethylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-butyl-1-[[4-[(2-cyclopropylethylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID138645277
Molecular FormulaC31H41N5
Molecular Weight483.70 g/mol
Exact Mass483.34
IUPAC NameN-tert-butyl-2-butyl-1-[[4-[(2-cyclopropylethylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(NC(C)(C)C)nc3ccccc3c2n1Cc1ccc(CNCCC2CC2)cc1
InChIInChI=1S/C31H41N5/c1-5-6-11-27-34-28-29(25-9-7-8-10-26(25)33-30(28)35-31(2,3)4)36(27)21-24-16-14-23(15-17-24)20-32-19-18-22-12-13-22/h7-10,14-17,22,32H,5-6,11-13,18-21H2,1-4H3,(H,33,35)
InChIKeySGJNTXHEOSUCAQ-UHFFFAOYSA-N
XLogP7.08
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.70
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-tert-butyl-2-butyl-1-[[4-[(2-cyclopropylethylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine with MolForge

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Related Compounds

N-tert-butyl-2-butyl-1-[[4-[(tridecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138645006
N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropylacetamide
CID 138645379
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
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-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138645221
[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
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
2-butyl-1-[[4-[(nonadecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138618993
1-(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)-2-methylhydrazine
CID 126700153
(4-propan-2-ylsulfanylphenyl)methyl N-[2-butyl-1-[[4-[(2-cyclopropylethylamino)methyl]naphthalen-1-yl]methyl]imidazo[4,5-c]quinolin-4-yl]carbamate
CID 138645237

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-butyl-1-[[4-[(2-cyclopropylethylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of N-tert-butyl-2-butyl-1-[[4-[(2-cyclopropylethylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine (CID 138645277) is N-tert-butyl-2-butyl-1-[[4-[(2-cyclopropylethylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for N-tert-butyl-2-butyl-1-[[4-[(2-cyclopropylethylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for N-tert-butyl-2-butyl-1-[[4-[(2-cyclopropylethylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(NC(C)(C)C)nc3ccccc3c2n1Cc1ccc(CNCCC2CC2)cc1.
What is the InChIKey of N-tert-butyl-2-butyl-1-[[4-[(2-cyclopropylethylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is SGJNTXHEOSUCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N5/c1-5-6-11-27-34-28-29(25-9-7-8-10-26(25)33-30(28)35-31(2,3)4)36(27)21-24-16-14-23(15-17-24)20-32-19-18-22-12-13-22/h7-10,14-17,22,32H,5-6,11-13,18-21H2,1-4H3,(H,33,35).
What are the key properties of N-tert-butyl-2-butyl-1-[[4-[(2-cyclopropylethylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine?
N-tert-butyl-2-butyl-1-[[4-[(2-cyclopropylethylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 483.70 g/mol, XLogP of 7.08, 11 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-[(2-cyclopropylethylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 138645277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).