N-[[2-[2-oxo-2-[(2-oxo-1H-quinolin-5-yl)amino]ethyl]phenyl]methyl]prop-2-enamide

C21H19N3O3 — CID 166421840

IUPACN-[[2-[2-oxo-2-[(2-oxo-1H-quinolin-5-yl)amino]ethyl]phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccccc1CC(=O)Nc1cccc2[nH]c(=O)ccc12
InChIInChI=1S/C21H19N3O3/c1-2-19(25)22-13-15-7-4-3-6-14(15)12-21(27)24-18-9-5-8-17-16(18)10-11-20(26)23-17/h2-11H,1,12-13H2,(H,22,25)(H,23,26)(H,24,27)
InChIKeyBAERTTAIVDFDLM-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.51
Rot. Bonds6

About N-[[2-[2-oxo-2-[(2-oxo-1H-quinolin-5-yl)amino]ethyl]phenyl]methyl]prop-2-enamide

N-[[2-[2-oxo-2-[(2-oxo-1H-quinolin-5-yl)amino]ethyl]phenyl]methyl]prop-2-enamide (PubChem CID 166421840) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[[2-[2-oxo-2-[(2-oxo-1H-quinolin-5-yl)amino]ethyl]phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[2-[2-oxo-2-[(2-oxo-1H-quinolin-5-yl)amino]ethyl]phenyl]methyl]prop-2-enamide
PubChem CID166421840
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[[2-[2-oxo-2-[(2-oxo-1H-quinolin-5-yl)amino]ethyl]phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccccc1CC(=O)Nc1cccc2[nH]c(=O)ccc12
InChIInChI=1S/C21H19N3O3/c1-2-19(25)22-13-15-7-4-3-6-14(15)12-21(27)24-18-9-5-8-17-16(18)10-11-20(26)23-17/h2-11H,1,12-13H2,(H,22,25)(H,23,26)(H,24,27)
InChIKeyBAERTTAIVDFDLM-UHFFFAOYSA-N
XLogP2.51
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[2-(4-chloro-2,5-dimethylanilino)-2-oxoethyl]phenyl]methyl]prop-2-enamide
CID 166421832
2-methyl-N-[4-methyl-3-[[2-[2-[(prop-2-enoylamino)methyl]phenyl]acetyl]amino]phenyl]propanamide
CID 166421802
N-[[2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]phenyl]methyl]prop-2-enamide
CID 162658675
N-[(2-methylphenyl)methyl]prop-2-enamide
CID 43616523
N-[[2-[2-[(3,4-dimethylphenyl)methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide
CID 167791724
N-[(1,3-dioxoisoindol-4-yl)methyl]prop-2-enamide
CID 54296718
2-(1H-indol-3-yl)-N-(1H-indol-4-yl)acetamide
CID 110745009
N-(2-hydroxyphenyl)-2-(1H-indol-4-yl)acetamide
CID 139642119
N-[[2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]phenyl]methyl]prop-2-enamide
CID 166421835
3-hydroxy-N-[[4-[(prop-2-enoylamino)methyl]naphthalen-1-yl]methyl]prop-2-enamide
CID 175404443
2-(2-aminophenyl)-N-(1H-indazol-4-yl)acetamide
CID 61117193
N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide
CID 57096689

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-oxo-2-[(2-oxo-1H-quinolin-5-yl)amino]ethyl]phenyl]methyl]prop-2-enamide?
The IUPAC name of N-[[2-[2-oxo-2-[(2-oxo-1H-quinolin-5-yl)amino]ethyl]phenyl]methyl]prop-2-enamide (CID 166421840) is N-[[2-[2-oxo-2-[(2-oxo-1H-quinolin-5-yl)amino]ethyl]phenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[2-[2-oxo-2-[(2-oxo-1H-quinolin-5-yl)amino]ethyl]phenyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[2-[2-oxo-2-[(2-oxo-1H-quinolin-5-yl)amino]ethyl]phenyl]methyl]prop-2-enamide is C=CC(=O)NCc1ccccc1CC(=O)Nc1cccc2[nH]c(=O)ccc12.
What is the InChIKey of N-[[2-[2-oxo-2-[(2-oxo-1H-quinolin-5-yl)amino]ethyl]phenyl]methyl]prop-2-enamide?
The InChIKey is BAERTTAIVDFDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-2-19(25)22-13-15-7-4-3-6-14(15)12-21(27)24-18-9-5-8-17-16(18)10-11-20(26)23-17/h2-11H,1,12-13H2,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[[2-[2-oxo-2-[(2-oxo-1H-quinolin-5-yl)amino]ethyl]phenyl]methyl]prop-2-enamide?
N-[[2-[2-oxo-2-[(2-oxo-1H-quinolin-5-yl)amino]ethyl]phenyl]methyl]prop-2-enamide has a molecular weight of 361.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-oxo-2-[(2-oxo-1H-quinolin-5-yl)amino]ethyl]phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 166421840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).