N-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-3-carboxamide

C20H25N3O3 — CID 6724022

IUPACN-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-3-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)NCC1CCCCC1)c1cnc2ccccc2c1
InChIInChI=1S/C20H25N3O3/c24-13-18(20(26)22-11-14-6-2-1-3-7-14)23-19(25)16-10-15-8-4-5-9-17(15)21-12-16/h4-5,8-10,12,14,18,24H,1-3,6-7,11,13H2,(H,22,26)(H,23,25)/t18-/m0/s1
InChIKeyXQZOFLCSYMUJAB-SFHVURJKSA-N
MW355.44 g/mol
LogP2.02
Rot. Bonds6

About N-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-3-carboxamide

N-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-3-carboxamide (PubChem CID 6724022) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-3-carboxamide
PubChem CID6724022
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-3-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)NCC1CCCCC1)c1cnc2ccccc2c1
InChIInChI=1S/C20H25N3O3/c24-13-18(20(26)22-11-14-6-2-1-3-7-14)23-19(25)16-10-15-8-4-5-9-17(15)21-12-16/h4-5,8-10,12,14,18,24H,1-3,6-7,11,13H2,(H,22,26)(H,23,25)/t18-/m0/s1
InChIKeyXQZOFLCSYMUJAB-SFHVURJKSA-N
XLogP2.02
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid
CID 110489479
N-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide
CID 6723252
N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 3618702
N-(1,3-dicyclopropylpropan-2-yl)quinoline-3-carboxamide
CID 155104929
N-[1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 4051543
N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide
CID 4228233
3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide
CID 10451096
N-(cyclohexylmethyl)quinoline-2-carboxamide
CID 2496984
N-(2-methoxyethyl)quinoline-3-carboxamide
CID 110694742
cyclopentyl(quinolin-3-yl)methanone
CID 54861205
N-[(2S,3S,5R)-1-(4-chlorophenyl)-5-(cyclohexylmethyl)-3-hydroxy-6-(methylamino)-6-oxohexan-2-yl]quinoline-3-carboxamide
CID 57080445
N-[2-(2-hydroxyethoxy)ethyl]quinoline-3-carboxamide
CID 110489496

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-3-carboxamide?
The IUPAC name of N-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-3-carboxamide (CID 6724022) is N-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-3-carboxamide?
The canonical SMILES for N-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-3-carboxamide is O=C(N[C@@H](CO)C(=O)NCC1CCCCC1)c1cnc2ccccc2c1.
What is the InChIKey of N-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-3-carboxamide?
The InChIKey is XQZOFLCSYMUJAB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-13-18(20(26)22-11-14-6-2-1-3-7-14)23-19(25)16-10-15-8-4-5-9-17(15)21-12-16/h4-5,8-10,12,14,18,24H,1-3,6-7,11,13H2,(H,22,26)(H,23,25)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-3-carboxamide?
N-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-3-carboxamide is sourced from PubChem (CID 6724022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).