(3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one

C19H22N2O2 — CID 141170214

IUPAC(3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc(CN2c3ccccc3NC(=O)[C@@H]2C(C)C)cc1
InChIInChI=1S/C19H22N2O2/c1-13(2)18-19(22)20-16-6-4-5-7-17(16)21(18)12-14-8-10-15(23-3)11-9-14/h4-11,13,18H,12H2,1-3H3,(H,20,22)/t18-/m0/s1
InChIKeyUSPWCZMUGAERRT-SFHVURJKSA-N
MW310.40 g/mol
LogP3.68
Rot. Bonds4

About (3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one

(3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one (PubChem CID 141170214) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name(3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one
PubChem CID141170214
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc(CN2c3ccccc3NC(=O)[C@@H]2C(C)C)cc1
InChIInChI=1S/C19H22N2O2/c1-13(2)18-19(22)20-16-6-4-5-7-17(16)21(18)12-14-8-10-15(23-3)11-9-14/h4-11,13,18H,12H2,1-3H3,(H,20,22)/t18-/m0/s1
InChIKeyUSPWCZMUGAERRT-SFHVURJKSA-N
XLogP3.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 71173465
6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid
CID 69495401
(6R)-5-[(4-methoxyphenyl)methyl]-6-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 40990398
(3R,6S)-3-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 11047909
(6S)-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,3,5-trione
CID 11825743
(6R,9S)-5-benzyl-6-(4-methoxyphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 40603068
(3R,6S)-3-ethyl-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 15830795
(5S)-6-methoxy-4-[(4-methoxyphenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazin-3-one
CID 16725898
6,9-bis(furan-2-yl)-5-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 16645977
N-(2-aminophenyl)-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide
CID 16661310
1-[(4-methoxyphenyl)methyl]-3-phenyl-2-propan-2-yl-4-prop-2-enoxy-2H-pyrrol-5-one
CID 177455231
(6S)-4,7-bis[(4-methoxyphenyl)methyl]-6-propan-2-yl-4,7-diazaspiro[2.5]octane-5,8-dione
CID 11133627

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of (3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one (CID 141170214) is (3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for (3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for (3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one is COc1ccc(CN2c3ccccc3NC(=O)[C@@H]2C(C)C)cc1.
What is the InChIKey of (3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one?
The InChIKey is USPWCZMUGAERRT-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13(2)18-19(22)20-16-6-4-5-7-17(16)21(18)12-14-8-10-15(23-3)11-9-14/h4-11,13,18H,12H2,1-3H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one?
(3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one has a molecular weight of 310.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 141170214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).