N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]quinoxaline-2-carboxamide

C21H17N5O3 — CID 6723510

IUPACN-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]quinoxaline-2-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)Nc1ccc2ncccc2c1)c1cnc2ccccc2n1
InChIInChI=1S/C21H17N5O3/c27-12-19(21(29)24-14-7-8-15-13(10-14)4-3-9-22-15)26-20(28)18-11-23-16-5-1-2-6-17(16)25-18/h1-11,19,27H,12H2,(H,24,29)(H,26,28)/t19-/m0/s1
InChIKeyOHXHJGVQXKTRLV-IBGZPJMESA-N
MW387.40 g/mol
LogP1.91
Rot. Bonds5

About N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]quinoxaline-2-carboxamide

N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]quinoxaline-2-carboxamide (PubChem CID 6723510) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]quinoxaline-2-carboxamide
PubChem CID6723510
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC NameN-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]quinoxaline-2-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)Nc1ccc2ncccc2c1)c1cnc2ccccc2n1
InChIInChI=1S/C21H17N5O3/c27-12-19(21(29)24-14-7-8-15-13(10-14)4-3-9-22-15)26-20(28)18-11-23-16-5-1-2-6-17(16)25-18/h1-11,19,27H,12H2,(H,24,29)(H,26,28)/t19-/m0/s1
InChIKeyOHXHJGVQXKTRLV-IBGZPJMESA-N
XLogP1.91
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]pyrazine-2-carboxamide
CID 3652353
N-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 4576762
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 6723497
N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 6723057
(7S)-7-benzamido-8-oxo-8-(quinolin-6-ylamino)octanoic acid
CID 58840912
N-[1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 4051543
N-quinolin-6-ylbenzamide
CID 833617
5-chloro-N-quinolin-6-ylpyrazine-2-carboxamide
CID 103803742
N-[3-hydroxy-1-(morpholin-4-ylamino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 3494740
N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide
CID 4228233
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 6723490

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]quinoxaline-2-carboxamide (CID 6723510) is N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]quinoxaline-2-carboxamide is O=C(N[C@@H](CO)C(=O)Nc1ccc2ncccc2c1)c1cnc2ccccc2n1.
What is the InChIKey of N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]quinoxaline-2-carboxamide?
The InChIKey is OHXHJGVQXKTRLV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H17N5O3/c27-12-19(21(29)24-14-7-8-15-13(10-14)4-3-9-22-15)26-20(28)18-11-23-16-5-1-2-6-17(16)25-18/h1-11,19,27H,12H2,(H,24,29)(H,26,28)/t19-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]quinoxaline-2-carboxamide?
N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]quinoxaline-2-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 6723510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).