N-[(Z)-benzylideneamino]-2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)acetamide

C19H18N4O2 — CID 5410088

IUPACN-[(Z)-benzylideneamino]-2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)acetamide
SMILESCc1cc2nc(CC(=O)N/N=C\c3ccccc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C19H18N4O2/c1-12-8-15-16(9-13(12)2)22-19(25)17(21-15)10-18(24)23-20-11-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H,22,25)(H,23,24)/b20-11-
InChIKeyPNCNEGFJXDNWRP-JAIQZWGSSA-N
MW334.38 g/mol
LogP2.23
Rot. Bonds4

About N-[(Z)-benzylideneamino]-2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)acetamide

N-[(Z)-benzylideneamino]-2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)acetamide (PubChem CID 5410088) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)acetamide
PubChem CID5410088
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[(Z)-benzylideneamino]-2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)acetamide
SMILESCc1cc2nc(CC(=O)N/N=C\c3ccccc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C19H18N4O2/c1-12-8-15-16(9-13(12)2)22-19(25)17(21-15)10-18(24)23-20-11-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H,22,25)(H,23,24)/b20-11-
InChIKeyPNCNEGFJXDNWRP-JAIQZWGSSA-N
XLogP2.23
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-benzylideneamino]-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 15576724
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)acetamide
CID 135611653
N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 6877145
N-(furan-2-ylmethylideneamino)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide
CID 3298414
N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143773
[4-[(Z)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] acetate
CID 110509725
N-[(Z)-(3-methoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 112538064
3-[(2-bromophenyl)methyl]-6,7-dimethyl-1H-quinoxalin-2-one
CID 5053613
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110339461
3-(3-oxo-4H-quinoxalin-2-yl)-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]propanamide
CID 110340847
N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110338901
3-(3-oxo-4H-quinoxalin-2-yl)-N-[(E)-[4-(2-phenylethoxy)phenyl]methylideneamino]propanamide
CID 110338874

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-benzylideneamino]-2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)acetamide?
The IUPAC name of N-[(Z)-benzylideneamino]-2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)acetamide (CID 5410088) is N-[(Z)-benzylideneamino]-2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-benzylideneamino]-2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)acetamide?
The canonical SMILES for N-[(Z)-benzylideneamino]-2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)acetamide is Cc1cc2nc(CC(=O)N/N=C\c3ccccc3)c(=O)[nH]c2cc1C.
What is the InChIKey of N-[(Z)-benzylideneamino]-2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)acetamide?
The InChIKey is PNCNEGFJXDNWRP-JAIQZWGSSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12-8-15-16(9-13(12)2)22-19(25)17(21-15)10-18(24)23-20-11-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H,22,25)(H,23,24)/b20-11-.
What are the key properties of N-[(Z)-benzylideneamino]-2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)acetamide?
N-[(Z)-benzylideneamino]-2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)acetamide has a molecular weight of 334.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)acetamide is sourced from PubChem (CID 5410088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).