N-[[(2S)-oxolan-2-yl]methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide

C24H27N3O3 — CID 8850288

IUPACN-[[(2S)-oxolan-2-yl]methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide
SMILESO=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)NC[C@@H]1CCCO1
InChIInChI=1S/C24H27N3O3/c28-23(25-17-19-9-6-16-30-19)13-12-21-24(29)27(15-14-18-7-2-1-3-8-18)22-11-5-4-10-20(22)26-21/h1-5,7-8,10-11,19H,6,9,12-17H2,(H,25,28)/t19-/m0/s1
InChIKeyHPBKXCPSGMWCMX-IBGZPJMESA-N
MW405.50 g/mol
LogP2.87
Rot. Bonds8

About N-[[(2S)-oxolan-2-yl]methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide

N-[[(2S)-oxolan-2-yl]methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide (PubChem CID 8850288) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide
PubChem CID8850288
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide
SMILESO=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)NC[C@@H]1CCCO1
InChIInChI=1S/C24H27N3O3/c28-23(25-17-19-9-6-16-30-19)13-12-21-24(29)27(15-14-18-7-2-1-3-8-18)22-11-5-4-10-20(22)26-21/h1-5,7-8,10-11,19H,6,9,12-17H2,(H,25,28)/t19-/m0/s1
InChIKeyHPBKXCPSGMWCMX-IBGZPJMESA-N
XLogP2.87
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2S)-oxolan-2-yl]methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide with MolForge

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Related Compounds

N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399
3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide
CID 108794711
3-(2-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 36994619
3-[4-oxo-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanylquinazolin-3-yl]-N-(2-phenylethyl)propanamide
CID 92694655
3-[4-[2-(benzylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide
CID 46391437
2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92869820
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide
CID 17468824
3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 109015843
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(1-benzylbenzimidazol-2-yl)sulfanylacetate
CID 46267736
N-[[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029337
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 17030256
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3830051

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide (CID 8850288) is N-[[(2S)-oxolan-2-yl]methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide is O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)NC[C@@H]1CCCO1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide?
The InChIKey is HPBKXCPSGMWCMX-IBGZPJMESA-N. The full InChI is InChI=1S/C24H27N3O3/c28-23(25-17-19-9-6-16-30-19)13-12-21-24(29)27(15-14-18-7-2-1-3-8-18)22-11-5-4-10-20(22)26-21/h1-5,7-8,10-11,19H,6,9,12-17H2,(H,25,28)/t19-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide?
N-[[(2S)-oxolan-2-yl]methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide has a molecular weight of 405.50 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide is sourced from PubChem (CID 8850288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).