N-[2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide

C29H24N4O3 — CID 46266252

IUPACN-[2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc3ccccc23)c1=O
InChIInChI=1S/C29H24N4O3/c1-2-26(34)30-23-14-6-5-13-21(23)28-29(36)33(25-17-8-7-15-24(25)32-28)18-27(35)31-22-16-9-11-19-10-3-4-12-20(19)22/h3-17H,2,18H2,1H3,(H,30,34)(H,31,35)
InChIKeyNGGBTOREEMHATR-UHFFFAOYSA-N
MW476.54 g/mol
LogP5.20
Rot. Bonds6

About N-[2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide

N-[2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide (PubChem CID 46266252) has the molecular formula C29H24N4O3 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-[2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide
PubChem CID46266252
Molecular FormulaC29H24N4O3
Molecular Weight476.54 g/mol
Exact Mass476.18
IUPAC NameN-[2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc3ccccc23)c1=O
InChIInChI=1S/C29H24N4O3/c1-2-26(34)30-23-14-6-5-13-21(23)28-29(36)33(25-17-8-7-15-24(25)32-28)18-27(35)31-22-16-9-11-19-10-3-4-12-20(19)22/h3-17H,2,18H2,1H3,(H,30,34)(H,31,35)
InChIKeyNGGBTOREEMHATR-UHFFFAOYSA-N
XLogP5.20
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[2-(3-chloroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide
CID 20894967
N-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
CID 20895410
N-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
CID 46367566
N-[2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
CID 46266404
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 20894952
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3-acetylphenyl)acetamide
CID 46367536
(2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide
CID 92901934
N-[2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]-2-methylpropanamide
CID 46367572
N-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide
CID 46266247
2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-(2-phenylphenyl)acetamide
CID 112787842
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 55432888
N-[4-[2-(2-bromoanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097745

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide?
The IUPAC name of N-[2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide (CID 46266252) is N-[2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide.
What is the SMILES notation for N-[2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide?
The canonical SMILES for N-[2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide is CCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc3ccccc23)c1=O.
What is the InChIKey of N-[2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide?
The InChIKey is NGGBTOREEMHATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O3/c1-2-26(34)30-23-14-6-5-13-21(23)28-29(36)33(25-17-8-7-15-24(25)32-28)18-27(35)31-22-16-9-11-19-10-3-4-12-20(19)22/h3-17H,2,18H2,1H3,(H,30,34)(H,31,35).
What are the key properties of N-[2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide?
N-[2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide has a molecular weight of 476.54 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide is sourced from PubChem (CID 46266252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).