(3R)-4-cyclopropyl-1,3-dimethyl-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3H-quinoxalin-2-one

C22H27N3O — CID 133053976

IUPAC(3R)-4-cyclopropyl-1,3-dimethyl-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3H-quinoxalin-2-one
SMILESCc1ccc([C@H](C)Nc2ccc3c(c2)N(C2CC2)[C@H](C)C(=O)N3C)cc1
InChIInChI=1S/C22H27N3O/c1-14-5-7-17(8-6-14)15(2)23-18-9-12-20-21(13-18)25(19-10-11-19)16(3)22(26)24(20)4/h5-9,12-13,15-16,19,23H,10-11H2,1-4H3/t15-,16+/m0/s1
InChIKeyUJLYWYBIZBFHNH-JKSUJKDBSA-N
MW349.48 g/mol
LogP4.50
Rot. Bonds4

About (3R)-4-cyclopropyl-1,3-dimethyl-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3H-quinoxalin-2-one

(3R)-4-cyclopropyl-1,3-dimethyl-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3H-quinoxalin-2-one (PubChem CID 133053976) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is (3R)-4-cyclopropyl-1,3-dimethyl-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3H-quinoxalin-2-one.

Molecular Properties

Compound Name(3R)-4-cyclopropyl-1,3-dimethyl-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3H-quinoxalin-2-one
PubChem CID133053976
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name(3R)-4-cyclopropyl-1,3-dimethyl-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3H-quinoxalin-2-one
SMILESCc1ccc([C@H](C)Nc2ccc3c(c2)N(C2CC2)[C@H](C)C(=O)N3C)cc1
InChIInChI=1S/C22H27N3O/c1-14-5-7-17(8-6-14)15(2)23-18-9-12-20-21(13-18)25(19-10-11-19)16(3)22(26)24(20)4/h5-9,12-13,15-16,19,23H,10-11H2,1-4H3/t15-,16+/m0/s1
InChIKeyUJLYWYBIZBFHNH-JKSUJKDBSA-N
XLogP4.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-4-cyclopropyl-1,3-dimethyl-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3H-quinoxalin-2-one with MolForge

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Related Compounds

N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)propanamide
CID 137637884
4-Benzyl-1,3-dihydroquinoxalin-2-one
CID 759495
N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
CID 122188235
N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide
CID 122188236
N-[[(2R)-1-benzyl-3,4-dihydro-2H-quinolin-2-yl]methyl]acetamide
CID 122188237
N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]cyclopropanecarboxamide
CID 122188239
N-[(1-phenyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
CID 122188351
N-(2-amino-4-(4-methylpiperazin-1-yl)phenyl)-N-benzylacetamide
CID 11559141
6-Dipropylamino-1,2,6,7-tetrahydro-5H-pyrido[1,2,3-de]quinoxalin-3-one
CID 15744960
N-{4-[2-(4-Phenyl-piperazin-1-yl)-ethyl]-benzyl}-acetamide
CID 22066687
N-{4-[3-(4-Phenyl-piperazin-1-yl)-propyl]-benzyl}-acetamide
CID 44382262
N-{4-[4-(4-Phenyl-piperazin-1-yl)-butyl]-benzyl}-acetamide
CID 44382571

Frequently Asked Questions

What is the IUPAC name of (3R)-4-cyclopropyl-1,3-dimethyl-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3H-quinoxalin-2-one?
The IUPAC name of (3R)-4-cyclopropyl-1,3-dimethyl-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3H-quinoxalin-2-one (CID 133053976) is (3R)-4-cyclopropyl-1,3-dimethyl-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3H-quinoxalin-2-one.
What is the SMILES notation for (3R)-4-cyclopropyl-1,3-dimethyl-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3H-quinoxalin-2-one?
The canonical SMILES for (3R)-4-cyclopropyl-1,3-dimethyl-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3H-quinoxalin-2-one is Cc1ccc([C@H](C)Nc2ccc3c(c2)N(C2CC2)[C@H](C)C(=O)N3C)cc1.
What is the InChIKey of (3R)-4-cyclopropyl-1,3-dimethyl-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3H-quinoxalin-2-one?
The InChIKey is UJLYWYBIZBFHNH-JKSUJKDBSA-N. The full InChI is InChI=1S/C22H27N3O/c1-14-5-7-17(8-6-14)15(2)23-18-9-12-20-21(13-18)25(19-10-11-19)16(3)22(26)24(20)4/h5-9,12-13,15-16,19,23H,10-11H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of (3R)-4-cyclopropyl-1,3-dimethyl-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3H-quinoxalin-2-one?
(3R)-4-cyclopropyl-1,3-dimethyl-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3H-quinoxalin-2-one has a molecular weight of 349.48 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-cyclopropyl-1,3-dimethyl-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3H-quinoxalin-2-one is sourced from PubChem (CID 133053976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).