N-[(2S)-1-[(3-acetyl-4-oxo-1-prop-2-ynylquinolin-6-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide

C30H25N3O4 — CID 162247422

IUPACN-[(2S)-1-[(3-acetyl-4-oxo-1-prop-2-ynylquinolin-6-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide
SMILESC#CCn1cc(C(C)=O)c(=O)c2cc(NC(=O)[C@H](C)NC(=O)c3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C30H25N3O4/c1-4-16-33-18-26(20(3)34)28(35)25-17-24(14-15-27(25)33)32-29(36)19(2)31-30(37)23-12-10-22(11-13-23)21-8-6-5-7-9-21/h1,5-15,17-19H,16H2,2-3H3,(H,31,37)(H,32,36)/t19-/m0/s1
InChIKeyFOZPOWLFYFLJBA-IBGZPJMESA-N
MW491.55 g/mol
LogP4.26
Rot. Bonds7

About N-[(2S)-1-[(3-acetyl-4-oxo-1-prop-2-ynylquinolin-6-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide

N-[(2S)-1-[(3-acetyl-4-oxo-1-prop-2-ynylquinolin-6-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide (PubChem CID 162247422) has the molecular formula C30H25N3O4 and a molecular weight of 491.55 g/mol. Its IUPAC name is N-[(2S)-1-[(3-acetyl-4-oxo-1-prop-2-ynylquinolin-6-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3-acetyl-4-oxo-1-prop-2-ynylquinolin-6-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide
PubChem CID162247422
Molecular FormulaC30H25N3O4
Molecular Weight491.55 g/mol
Exact Mass491.18
IUPAC NameN-[(2S)-1-[(3-acetyl-4-oxo-1-prop-2-ynylquinolin-6-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide
SMILESC#CCn1cc(C(C)=O)c(=O)c2cc(NC(=O)[C@H](C)NC(=O)c3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C30H25N3O4/c1-4-16-33-18-26(20(3)34)28(35)25-17-24(14-15-27(25)33)32-29(36)19(2)31-30(37)23-12-10-22(11-13-23)21-8-6-5-7-9-21/h1,5-15,17-19H,16H2,2-3H3,(H,31,37)(H,32,36)/t19-/m0/s1
InChIKeyFOZPOWLFYFLJBA-IBGZPJMESA-N
XLogP4.26
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-[(3-acetyl-4-oxo-1-prop-2-ynylquinolin-6-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-oxo-6-[[(2S)-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylate
CID 155478923
N-[(2S)-1-[(7-acetyl-8-oxo-5H-1,5-naphthyridin-2-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide
CID 161302893
4-oxo-6-[[(2S)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylic acid
CID 166801916
N-[(2S)-1-(dibenzofuran-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 8002470
N-[(2S)-1-[(3-acetyl-1-cyclohexyl-4-oxoquinolin-6-yl)amino]-1-oxopropan-2-yl]-3-fluoro-4-phenylbenzamide;N-[(2S)-1-[(3-acetyl-4-oxo-1H-quinolin-6-yl)amino]-3-amino-1-oxopropan-2-yl]-4-phenylbenzamide;N-[(2S)-1-[(3-acetyl-4-oxo-1H-quinolin-6-yl)amino]-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide;1-[(3-chloro-4-methylphenyl)methyl]-6-[[(2S)-2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]propanoyl]amino]-4-oxoquinoline-3-carboxylic acid;methane
CID 161245407
N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide
CID 1332956
N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide
CID 24638933
3-[(4-phenylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197336
N-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 51606082
N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 112763253
N-[(2S)-1-[(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-2-yl)amino]-1-oxopropan-2-yl]benzamide
CID 95056166
N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 24639209

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3-acetyl-4-oxo-1-prop-2-ynylquinolin-6-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[(2S)-1-[(3-acetyl-4-oxo-1-prop-2-ynylquinolin-6-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide (CID 162247422) is N-[(2S)-1-[(3-acetyl-4-oxo-1-prop-2-ynylquinolin-6-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[(2S)-1-[(3-acetyl-4-oxo-1-prop-2-ynylquinolin-6-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[(2S)-1-[(3-acetyl-4-oxo-1-prop-2-ynylquinolin-6-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide is C#CCn1cc(C(C)=O)c(=O)c2cc(NC(=O)[C@H](C)NC(=O)c3ccc(-c4ccccc4)cc3)ccc21.
What is the InChIKey of N-[(2S)-1-[(3-acetyl-4-oxo-1-prop-2-ynylquinolin-6-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide?
The InChIKey is FOZPOWLFYFLJBA-IBGZPJMESA-N. The full InChI is InChI=1S/C30H25N3O4/c1-4-16-33-18-26(20(3)34)28(35)25-17-24(14-15-27(25)33)32-29(36)19(2)31-30(37)23-12-10-22(11-13-23)21-8-6-5-7-9-21/h1,5-15,17-19H,16H2,2-3H3,(H,31,37)(H,32,36)/t19-/m0/s1.
What are the key properties of N-[(2S)-1-[(3-acetyl-4-oxo-1-prop-2-ynylquinolin-6-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide?
N-[(2S)-1-[(3-acetyl-4-oxo-1-prop-2-ynylquinolin-6-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide has a molecular weight of 491.55 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3-acetyl-4-oxo-1-prop-2-ynylquinolin-6-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 162247422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).