(Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide

C17H22N2O2 — CID 94827781

IUPAC(Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide
SMILESCC/C=C(/C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H22N2O2/c1-4-5-11(2)17(21)18-12(3)13-6-8-15-14(10-13)7-9-16(20)19-15/h5-6,8,10,12H,4,7,9H2,1-3H3,(H,18,21)(H,19,20)/b11-5-/t12-/m0/s1
InChIKeyYXEHEHYGSHIQNT-QJGQKNTRSA-N
MW286.38 g/mol
LogP3.10
Rot. Bonds4

About (Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide

(Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide (PubChem CID 94827781) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide.

Molecular Properties

Compound Name(Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide
PubChem CID94827781
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide
SMILESCC/C=C(/C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H22N2O2/c1-4-5-11(2)17(21)18-12(3)13-6-8-15-14(10-13)7-9-16(20)19-15/h5-6,8,10,12H,4,7,9H2,1-3H3,(H,18,21)(H,19,20)/b11-5-/t12-/m0/s1
InChIKeyYXEHEHYGSHIQNT-QJGQKNTRSA-N
XLogP3.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide 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

2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate
CID 94647057
4-(methylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 119729786
1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide
CID 60516922
N-(3-fluoro-5-methylphenyl)-N'-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]oxamide
CID 167800919
7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride
CID 119729777
2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 51089323
(3R)-3-cyclopropyl-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 97314500
2-(2-methoxyethylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide;hydrochloride
CID 119729824
2-(2,6-difluorophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 122150911
6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116859777
1-(2,2-diethyl-3-methoxycyclobutyl)-3-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 136515586

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide?
The IUPAC name of (Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide (CID 94827781) is (Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide.
What is the SMILES notation for (Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide?
The canonical SMILES for (Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide is CC/C=C(/C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of (Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide?
The InChIKey is YXEHEHYGSHIQNT-QJGQKNTRSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-5-11(2)17(21)18-12(3)13-6-8-15-14(10-13)7-9-16(20)19-15/h5-6,8,10,12H,4,7,9H2,1-3H3,(H,18,21)(H,19,20)/b11-5-/t12-/m0/s1.
What are the key properties of (Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide?
(Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide has a molecular weight of 286.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide is sourced from PubChem (CID 94827781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).