N-benzyl-2-cyclopentyl-3H-imidazo[4,5-c]quinolin-4-amine;2-cyclopentyl-N-(2-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine

C45H46N8 — CID 157463851

IUPACN-benzyl-2-cyclopentyl-3H-imidazo[4,5-c]quinolin-4-amine;2-cyclopentyl-N-(2-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine
SMILESc1ccc(CCNc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1.c1ccc(CNc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1
InChIInChI=1S/C23H24N4.C22H22N4/c1-2-8-16(9-3-1)14-15-24-23-21-20(18-12-6-7-13-19(18)25-23)26-22(27-21)17-10-4-5-11-17;1-2-8-15(9-3-1)14-23-22-20-19(17-12-6-7-13-18(17)24-22)25-21(26-20)16-10-4-5-11-16/h1-3,6-9,12-13,17H,4-5,10-11,14-15H2,(H,24,25)(H,26,27);1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,23,24)(H,25,26)
InChIKeyBUFYQKLGLNPUGN-UHFFFAOYSA-N
MW698.92 g/mol
LogP10.80
Rot. Bonds9

About N-benzyl-2-cyclopentyl-3H-imidazo[4,5-c]quinolin-4-amine;2-cyclopentyl-N-(2-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine

N-benzyl-2-cyclopentyl-3H-imidazo[4,5-c]quinolin-4-amine;2-cyclopentyl-N-(2-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine (PubChem CID 157463851) has the molecular formula C45H46N8 and a molecular weight of 698.92 g/mol. Its IUPAC name is N-benzyl-2-cyclopentyl-3H-imidazo[4,5-c]quinolin-4-amine;2-cyclopentyl-N-(2-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-cyclopentyl-3H-imidazo[4,5-c]quinolin-4-amine;2-cyclopentyl-N-(2-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine
PubChem CID157463851
Molecular FormulaC45H46N8
Molecular Weight698.92 g/mol
Exact Mass698.38
IUPAC NameN-benzyl-2-cyclopentyl-3H-imidazo[4,5-c]quinolin-4-amine;2-cyclopentyl-N-(2-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine
SMILESc1ccc(CCNc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1.c1ccc(CNc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1
InChIInChI=1S/C23H24N4.C22H22N4/c1-2-8-16(9-3-1)14-15-24-23-21-20(18-12-6-7-13-19(18)25-23)26-22(27-21)17-10-4-5-11-17;1-2-8-15(9-3-1)14-23-22-20-19(17-12-6-7-13-18(17)24-22)25-21(26-20)16-10-4-5-11-16/h1-3,6-9,12-13,17H,4-5,10-11,14-15H2,(H,24,25)(H,26,27);1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,23,24)(H,25,26)
InChIKeyBUFYQKLGLNPUGN-UHFFFAOYSA-N
XLogP10.80
TPSA107.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.92
LogP ≤ 510.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-benzyl-2-cyclopentyl-3H-imidazo[4,5-c]quinolin-4-amine;2-cyclopentyl-N-(2-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine with MolForge

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Related Compounds

2-(4-aminocyclohexyl)-N-(3,4-dichlorophenyl)-3H-imidazo[4,5-c]quinolin-4-amine
CID 44572658
6-(benzylamino)-2-cyclohexyl-1H-pyrimidine-4-thione
CID 82457581
2-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 69221519
(3S)-3-(1H-benzimidazol-2-yl)-N-(2-phenylethyl)piperidine-1-carbothioamide
CID 51474217
(3R)-3-(1H-benzimidazol-2-yl)-N-(2-phenylethyl)piperidine-1-carbothioamide
CID 51474218
2-cyclopentyl-7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide
CID 44628376
2-N-cyclohexyl-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 91963512
N-benzyl-6-chloro-2-cyclohexyl-5-ethylpyrimidin-4-amine
CID 87726327
7-(2-phenylethylamino)-2,4-dihydrotriazolo[4,5-d]pyrimidin-5-one
CID 135897927
2-cyclohexyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 69222459
2-methyl-N-phenyl-3H-imidazo[4,5-c]quinolin-4-amine
CID 134106073
2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine
CID 5350492

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyclopentyl-3H-imidazo[4,5-c]quinolin-4-amine;2-cyclopentyl-N-(2-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of N-benzyl-2-cyclopentyl-3H-imidazo[4,5-c]quinolin-4-amine;2-cyclopentyl-N-(2-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine (CID 157463851) is N-benzyl-2-cyclopentyl-3H-imidazo[4,5-c]quinolin-4-amine;2-cyclopentyl-N-(2-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for N-benzyl-2-cyclopentyl-3H-imidazo[4,5-c]quinolin-4-amine;2-cyclopentyl-N-(2-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for N-benzyl-2-cyclopentyl-3H-imidazo[4,5-c]quinolin-4-amine;2-cyclopentyl-N-(2-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine is c1ccc(CCNc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1.c1ccc(CNc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1.
What is the InChIKey of N-benzyl-2-cyclopentyl-3H-imidazo[4,5-c]quinolin-4-amine;2-cyclopentyl-N-(2-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine?
The InChIKey is BUFYQKLGLNPUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4.C22H22N4/c1-2-8-16(9-3-1)14-15-24-23-21-20(18-12-6-7-13-19(18)25-23)26-22(27-21)17-10-4-5-11-17;1-2-8-15(9-3-1)14-23-22-20-19(17-12-6-7-13-18(17)24-22)25-21(26-20)16-10-4-5-11-16/h1-3,6-9,12-13,17H,4-5,10-11,14-15H2,(H,24,25)(H,26,27);1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,23,24)(H,25,26).
What are the key properties of N-benzyl-2-cyclopentyl-3H-imidazo[4,5-c]quinolin-4-amine;2-cyclopentyl-N-(2-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine?
N-benzyl-2-cyclopentyl-3H-imidazo[4,5-c]quinolin-4-amine;2-cyclopentyl-N-(2-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine has a molecular weight of 698.92 g/mol, XLogP of 10.80, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-cyclopentyl-3H-imidazo[4,5-c]quinolin-4-amine;2-cyclopentyl-N-(2-phenylethyl)-3H-imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 157463851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).