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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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).