N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-oxo-1H-quinoline-3-carboxamide

C19H24N2O3 — CID 99827233

IUPACN-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-oxo-1H-quinoline-3-carboxamide
SMILESC[C@](CO)(NC(=O)c1cc2ccccc2[nH]c1=O)C1CCCCC1
InChIInChI=1S/C19H24N2O3/c1-19(12-22,14-8-3-2-4-9-14)21-18(24)15-11-13-7-5-6-10-16(13)20-17(15)23/h5-7,10-11,14,22H,2-4,8-9,12H2,1H3,(H,20,23)(H,21,24)/t19-/m1/s1
InChIKeyZPOXKCSZLGILRW-LJQANCHMSA-N
MW328.41 g/mol
LogP2.59
Rot. Bonds4

About N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-oxo-1H-quinoline-3-carboxamide

N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 99827233) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID99827233
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-oxo-1H-quinoline-3-carboxamide
SMILESC[C@](CO)(NC(=O)c1cc2ccccc2[nH]c1=O)C1CCCCC1
InChIInChI=1S/C19H24N2O3/c1-19(12-22,14-8-3-2-4-9-14)21-18(24)15-11-13-7-5-6-10-16(13)20-17(15)23/h5-7,10-11,14,22H,2-4,8-9,12H2,1H3,(H,20,23)(H,21,24)/t19-/m1/s1
InChIKeyZPOXKCSZLGILRW-LJQANCHMSA-N
XLogP2.59
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-oxo-1H-quinoline-3-carboxamide (CID 99827233) is N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-oxo-1H-quinoline-3-carboxamide is C[C@](CO)(NC(=O)c1cc2ccccc2[nH]c1=O)C1CCCCC1.
What is the InChIKey of N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ZPOXKCSZLGILRW-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(12-22,14-8-3-2-4-9-14)21-18(24)15-11-13-7-5-6-10-16(13)20-17(15)23/h5-7,10-11,14,22H,2-4,8-9,12H2,1H3,(H,20,23)(H,21,24)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-oxo-1H-quinoline-3-carboxamide?
N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 99827233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).