N-cyclohexyl-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-4-hydroxybenzamide

C29H33N3O3 — CID 25409845

IUPACN-cyclohexyl-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-4-hydroxybenzamide
SMILESO=C(NC1CCCC1)[C@H](c1ccc2ncccc2c1)N(C(=O)c1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C29H33N3O3/c33-25-15-12-20(13-16-25)29(35)32(24-10-2-1-3-11-24)27(28(34)31-23-8-4-5-9-23)22-14-17-26-21(19-22)7-6-18-30-26/h6-7,12-19,23-24,27,33H,1-5,8-11H2,(H,31,34)/t27-/m0/s1
InChIKeyYTVLMOTWDVQHOT-MHZLTWQESA-N
MW471.60 g/mol
LogP5.52
Rot. Bonds6

About N-cyclohexyl-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-4-hydroxybenzamide

N-cyclohexyl-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-4-hydroxybenzamide (PubChem CID 25409845) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-cyclohexyl-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-4-hydroxybenzamide
PubChem CID25409845
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC NameN-cyclohexyl-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-4-hydroxybenzamide
SMILESO=C(NC1CCCC1)[C@H](c1ccc2ncccc2c1)N(C(=O)c1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C29H33N3O3/c33-25-15-12-20(13-16-25)29(35)32(24-10-2-1-3-11-24)27(28(34)31-23-8-4-5-9-23)22-14-17-26-21(19-22)7-6-18-30-26/h6-7,12-19,23-24,27,33H,1-5,8-11H2,(H,31,34)/t27-/m0/s1
InChIKeyYTVLMOTWDVQHOT-MHZLTWQESA-N
XLogP5.52
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-quinolin-3-ylpyrazine-2-carboxamide
CID 3184718
N-[2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 3210608
N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 3180235
4-amino-5-N-[2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3189203
4-amino-5-N-[2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-5-N-(2-fluorophenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3189231
N-cyclohexyl-N-[2-(2,2-difluoroethylamino)-2-oxo-1-pyridin-2-ylethyl]benzamide
CID 166342313
N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride
CID 119620989
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclohexylamino]-N-cyclohexyl-2-(3,4-dihydroxyphenyl)acetamide
CID 1153079
N-cyclopentyl-2-(2-methoxyanilino)-2-quinolin-6-ylacetamide
CID 43817563
(3S)-N-cyclopentyl-N-[(1S)-2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1144295
[cyclopentyl(quinolin-6-yl)methyl]hydrazine
CID 105204471
4-amino-5-N-[2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 3189238

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-4-hydroxybenzamide?
The IUPAC name of N-cyclohexyl-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-4-hydroxybenzamide (CID 25409845) is N-cyclohexyl-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-4-hydroxybenzamide.
What is the SMILES notation for N-cyclohexyl-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-4-hydroxybenzamide?
The canonical SMILES for N-cyclohexyl-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-4-hydroxybenzamide is O=C(NC1CCCC1)[C@H](c1ccc2ncccc2c1)N(C(=O)c1ccc(O)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-4-hydroxybenzamide?
The InChIKey is YTVLMOTWDVQHOT-MHZLTWQESA-N. The full InChI is InChI=1S/C29H33N3O3/c33-25-15-12-20(13-16-25)29(35)32(24-10-2-1-3-11-24)27(28(34)31-23-8-4-5-9-23)22-14-17-26-21(19-22)7-6-18-30-26/h6-7,12-19,23-24,27,33H,1-5,8-11H2,(H,31,34)/t27-/m0/s1.
What are the key properties of N-cyclohexyl-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-4-hydroxybenzamide?
N-cyclohexyl-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-4-hydroxybenzamide has a molecular weight of 471.60 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-4-hydroxybenzamide is sourced from PubChem (CID 25409845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).