4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-6-[4-(morpholine-4-carbonyl)anilino]-3H-quinoxalin-2-one

C29H32N4O4 — CID 123731123

IUPAC4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-6-[4-(morpholine-4-carbonyl)anilino]-3H-quinoxalin-2-one
SMILESCOc1ccc(CN2c3cc(Nc4ccc(C(=O)N5CCOCC5)cc4)ccc3N(C)C(=O)C2C)cc1
InChIInChI=1S/C29H32N4O4/c1-20-28(34)31(2)26-13-10-24(18-27(26)33(20)19-21-4-11-25(36-3)12-5-21)30-23-8-6-22(7-9-23)29(35)32-14-16-37-17-15-32/h4-13,18,20,30H,14-17,19H2,1-3H3
InChIKeyYZVZJWWPXPUWQU-UHFFFAOYSA-N
MW500.60 g/mol
LogP4.28
Rot. Bonds6

About 4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-6-[4-(morpholine-4-carbonyl)anilino]-3H-quinoxalin-2-one

4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-6-[4-(morpholine-4-carbonyl)anilino]-3H-quinoxalin-2-one (PubChem CID 123731123) has the molecular formula C29H32N4O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-6-[4-(morpholine-4-carbonyl)anilino]-3H-quinoxalin-2-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-6-[4-(morpholine-4-carbonyl)anilino]-3H-quinoxalin-2-one
PubChem CID123731123
Molecular FormulaC29H32N4O4
Molecular Weight500.60 g/mol
Exact Mass500.24
IUPAC Name4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-6-[4-(morpholine-4-carbonyl)anilino]-3H-quinoxalin-2-one
SMILESCOc1ccc(CN2c3cc(Nc4ccc(C(=O)N5CCOCC5)cc4)ccc3N(C)C(=O)C2C)cc1
InChIInChI=1S/C29H32N4O4/c1-20-28(34)31(2)26-13-10-24(18-27(26)33(20)19-21-4-11-25(36-3)12-5-21)30-23-8-6-22(7-9-23)29(35)32-14-16-37-17-15-32/h4-13,18,20,30H,14-17,19H2,1-3H3
InChIKeyYZVZJWWPXPUWQU-UHFFFAOYSA-N
XLogP4.28
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
2-[6-(4-methoxyanilino)-2-(morpholine-4-carbonyl)indol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 165179773
(3R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-3H-quinoxalin-2-one
CID 122164732
(3R)-6-[4-(1,1-dihydroxy-1λ4-thia-6-azaspiro[3.3]heptane-6-carbonyl)anilino]-1,3-dimethyl-4-(oxan-4-yl)-3H-quinoxalin-2-one
CID 118538604
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
(E)-3-(3-methoxyphenyl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]prop-2-enamide
CID 32861859
[4-(chloromethyl)phenyl]-(1,4-oxazepan-4-yl)methanone
CID 62986957
[4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
CID 894880
N-(4-methoxyphenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103828
N-[(4-methoxyphenyl)methyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683173
3-methoxy-4-[1-(4-methoxybenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 171142406
2-(4-methoxyphenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]acetamide
CID 110285557

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-6-[4-(morpholine-4-carbonyl)anilino]-3H-quinoxalin-2-one?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-6-[4-(morpholine-4-carbonyl)anilino]-3H-quinoxalin-2-one (CID 123731123) is 4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-6-[4-(morpholine-4-carbonyl)anilino]-3H-quinoxalin-2-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-6-[4-(morpholine-4-carbonyl)anilino]-3H-quinoxalin-2-one?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-6-[4-(morpholine-4-carbonyl)anilino]-3H-quinoxalin-2-one is COc1ccc(CN2c3cc(Nc4ccc(C(=O)N5CCOCC5)cc4)ccc3N(C)C(=O)C2C)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-6-[4-(morpholine-4-carbonyl)anilino]-3H-quinoxalin-2-one?
The InChIKey is YZVZJWWPXPUWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-20-28(34)31(2)26-13-10-24(18-27(26)33(20)19-21-4-11-25(36-3)12-5-21)30-23-8-6-22(7-9-23)29(35)32-14-16-37-17-15-32/h4-13,18,20,30H,14-17,19H2,1-3H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-6-[4-(morpholine-4-carbonyl)anilino]-3H-quinoxalin-2-one?
4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-6-[4-(morpholine-4-carbonyl)anilino]-3H-quinoxalin-2-one has a molecular weight of 500.60 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-6-[4-(morpholine-4-carbonyl)anilino]-3H-quinoxalin-2-one is sourced from PubChem (CID 123731123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).