N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide

C19H22N4O3 — CID 6723490

IUPACN-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)NC1CC2CCC1C2)c1cnc2ccccc2n1
InChIInChI=1S/C19H22N4O3/c24-10-17(19(26)22-15-8-11-5-6-12(15)7-11)23-18(25)16-9-20-13-3-1-2-4-14(13)21-16/h1-4,9,11-12,15,17,24H,5-8,10H2,(H,22,26)(H,23,25)/t11?,12?,15?,17-/m0/s1
InChIKeyRTQQWDPZUAXGOW-ZRXXRODJSA-N
MW354.41 g/mol
LogP1.03
Rot. Bonds5

About N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide

N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide (PubChem CID 6723490) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide
PubChem CID6723490
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)NC1CC2CCC1C2)c1cnc2ccccc2n1
InChIInChI=1S/C19H22N4O3/c24-10-17(19(26)22-15-8-11-5-6-12(15)7-11)23-18(25)16-9-20-13-3-1-2-4-14(13)21-16/h1-4,9,11-12,15,17,24H,5-8,10H2,(H,22,26)(H,23,25)/t11?,12?,15?,17-/m0/s1
InChIKeyRTQQWDPZUAXGOW-ZRXXRODJSA-N
XLogP1.03
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide with MolForge

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Related Compounds

N-[1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 4051543
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide
CID 98487912
N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]naphthalene-2-carboxamide
CID 6667462
N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide
CID 3544775
N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 6724674
N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 3345388
N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-(3-phenylprop-2-enoylamino)propanamide
CID 4685068
(2S)-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724752
N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]quinoxaline-2-carboxamide
CID 6723510
N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide
CID 115734850
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)quinoxaline-2-carboxamide
CID 45352272
N-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 4576762

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide (CID 6723490) is N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide is O=C(N[C@@H](CO)C(=O)NC1CC2CCC1C2)c1cnc2ccccc2n1.
What is the InChIKey of N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide?
The InChIKey is RTQQWDPZUAXGOW-ZRXXRODJSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-10-17(19(26)22-15-8-11-5-6-12(15)7-11)23-18(25)16-9-20-13-3-1-2-4-14(13)21-16/h1-4,9,11-12,15,17,24H,5-8,10H2,(H,22,26)(H,23,25)/t11?,12?,15?,17-/m0/s1.
What are the key properties of N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide?
N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 6723490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).