N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropylacetamide

C31H39N5O — CID 138645379

IUPACN-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropylacetamide
SMILESCCCCc1nc2c(NC(C)(C)C)nc3ccccc3c2n1Cc1ccc(CNC(=O)CC2CC2)cc1
InChIInChI=1S/C31H39N5O/c1-5-6-11-26-34-28-29(24-9-7-8-10-25(24)33-30(28)35-31(2,3)4)36(26)20-23-16-14-22(15-17-23)19-32-27(37)18-21-12-13-21/h7-10,14-17,21H,5-6,11-13,18-20H2,1-4H3,(H,32,37)(H,33,35)
InChIKeyNHIDCAHANFRIOL-UHFFFAOYSA-N
MW497.69 g/mol
LogP6.60
Rot. Bonds10

About N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropylacetamide

N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropylacetamide (PubChem CID 138645379) has the molecular formula C31H39N5O and a molecular weight of 497.69 g/mol. Its IUPAC name is N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropylacetamide
PubChem CID138645379
Molecular FormulaC31H39N5O
Molecular Weight497.69 g/mol
Exact Mass497.32
IUPAC NameN-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropylacetamide
SMILESCCCCc1nc2c(NC(C)(C)C)nc3ccccc3c2n1Cc1ccc(CNC(=O)CC2CC2)cc1
InChIInChI=1S/C31H39N5O/c1-5-6-11-26-34-28-29(24-9-7-8-10-25(24)33-30(28)35-31(2,3)4)36(26)20-23-16-14-22(15-17-23)19-32-27(37)18-21-12-13-21/h7-10,14-17,21H,5-6,11-13,18-20H2,1-4H3,(H,32,37)(H,33,35)
InChIKeyNHIDCAHANFRIOL-UHFFFAOYSA-N
XLogP6.60
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.69
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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]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-[(tridecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138645006
N-tert-butyl-2-butyl-1-[[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138645221
N-tert-butyl-2-butyl-1-[[4-[[2-(1-methylcyclopropyl)ethylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138645015
[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-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-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]nonadecanamide
CID 147487530
tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 71472212
(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-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropylacetamide?
The IUPAC name of N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropylacetamide (CID 138645379) is N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropylacetamide?
The canonical SMILES for N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropylacetamide is CCCCc1nc2c(NC(C)(C)C)nc3ccccc3c2n1Cc1ccc(CNC(=O)CC2CC2)cc1.
What is the InChIKey of N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropylacetamide?
The InChIKey is NHIDCAHANFRIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N5O/c1-5-6-11-26-34-28-29(24-9-7-8-10-25(24)33-30(28)35-31(2,3)4)36(26)20-23-16-14-22(15-17-23)19-32-27(37)18-21-12-13-21/h7-10,14-17,21H,5-6,11-13,18-20H2,1-4H3,(H,32,37)(H,33,35).
What are the key properties of N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropylacetamide?
N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropylacetamide has a molecular weight of 497.69 g/mol, XLogP of 6.60, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropylacetamide is sourced from PubChem (CID 138645379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).