N-(2-aminophenyl)-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide

C28H32N4O3 — CID 16661310

IUPACN-(2-aminophenyl)-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide
SMILESCOc1ccc(CN2c3ccccc3NC(=O)C2CCCCCC(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C28H32N4O3/c1-35-21-17-15-20(16-18-21)19-32-25-12-8-7-11-24(25)31-28(34)26(32)13-3-2-4-14-27(33)30-23-10-6-5-9-22(23)29/h5-12,15-18,26H,2-4,13-14,19,29H2,1H3,(H,30,33)(H,31,34)
InChIKeyVCGDWODNRIURDS-UHFFFAOYSA-N
MW472.59 g/mol
LogP5.19
Rot. Bonds10

About N-(2-aminophenyl)-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide

N-(2-aminophenyl)-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide (PubChem CID 16661310) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide
PubChem CID16661310
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC NameN-(2-aminophenyl)-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide
SMILESCOc1ccc(CN2c3ccccc3NC(=O)C2CCCCCC(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C28H32N4O3/c1-35-21-17-15-20(16-18-21)19-32-25-12-8-7-11-24(25)31-28(34)26(32)13-3-2-4-14-27(33)30-23-10-6-5-9-22(23)29/h5-12,15-18,26H,2-4,13-14,19,29H2,1H3,(H,30,33)(H,31,34)
InChIKeyVCGDWODNRIURDS-UHFFFAOYSA-N
XLogP5.19
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanoic acid
CID 69495401
N-[5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-nitrophenyl]-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide
CID 143414725
3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 71173465
(3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 141170214
methyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate
CID 86593353
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)pentanamide
CID 110297867
N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide
CID 48980503
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide?
The IUPAC name of N-(2-aminophenyl)-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide (CID 16661310) is N-(2-aminophenyl)-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide.
What is the SMILES notation for N-(2-aminophenyl)-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide?
The canonical SMILES for N-(2-aminophenyl)-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide is COc1ccc(CN2c3ccccc3NC(=O)C2CCCCCC(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide?
The InChIKey is VCGDWODNRIURDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-35-21-17-15-20(16-18-21)19-32-25-12-8-7-11-24(25)31-28(34)26(32)13-3-2-4-14-27(33)30-23-10-6-5-9-22(23)29/h5-12,15-18,26H,2-4,13-14,19,29H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-(2-aminophenyl)-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide?
N-(2-aminophenyl)-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide has a molecular weight of 472.59 g/mol, XLogP of 5.19, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-[1-[(4-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]hexanamide is sourced from PubChem (CID 16661310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).