(E)-3-(7-chloroquinolin-2-yl)-N-methylprop-2-enamide

C13H11ClN2O — CID 110490314

IUPAC(E)-3-(7-chloroquinolin-2-yl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C13H11ClN2O/c1-15-13(17)7-6-11-5-3-9-2-4-10(14)8-12(9)16-11/h2-8H,1H3,(H,15,17)/b7-6+
InChIKeyKIDSRFWYUMAFIB-VOTSOKGWSA-N
MW246.70 g/mol
LogP2.65
Rot. Bonds2

About (E)-3-(7-chloroquinolin-2-yl)-N-methylprop-2-enamide

(E)-3-(7-chloroquinolin-2-yl)-N-methylprop-2-enamide (PubChem CID 110490314) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is (E)-3-(7-chloroquinolin-2-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(7-chloroquinolin-2-yl)-N-methylprop-2-enamide
PubChem CID110490314
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name(E)-3-(7-chloroquinolin-2-yl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C13H11ClN2O/c1-15-13(17)7-6-11-5-3-9-2-4-10(14)8-12(9)16-11/h2-8H,1H3,(H,15,17)/b7-6+
InChIKeyKIDSRFWYUMAFIB-VOTSOKGWSA-N
XLogP2.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(7-chloroquinolin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 111333114
(E)-3-(7-chloroquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 35559066
3-(7-chloroquinolin-2-yl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 126790537
3-(7-chloroquinolin-2-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]prop-2-en-1-one
CID 126783309
3-(4-chlorophenyl)-N-methylprop-2-enamide
CID 4142427
7-chloro-2-[2-(3-methylphenyl)ethenyl]quinoline
CID 73429919
1-[(E)-3-(7-chloroquinolin-2-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 129009461
(E)-3-(7-methylquinolin-2-yl)prop-2-enoic acid
CID 68679824
(E)-3-[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol
CID 87897267
4,6-dichloro-3-[(E)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]anilino]-3-oxoprop-1-enyl]-1H-indole-2-carboxylic acid
CID 127043049
8-[(E)-3-(7-chloroquinolin-2-yl)prop-2-enoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 37054545
methyl 2-[3-[[3-[2-(7-chloroquinolin-2-yl)ethenyl]anilino]methyl]phenyl]acetate
CID 139809581

Frequently Asked Questions

What is the IUPAC name of (E)-3-(7-chloroquinolin-2-yl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(7-chloroquinolin-2-yl)-N-methylprop-2-enamide (CID 110490314) is (E)-3-(7-chloroquinolin-2-yl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(7-chloroquinolin-2-yl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(7-chloroquinolin-2-yl)-N-methylprop-2-enamide is CNC(=O)/C=C/c1ccc2ccc(Cl)cc2n1.
What is the InChIKey of (E)-3-(7-chloroquinolin-2-yl)-N-methylprop-2-enamide?
The InChIKey is KIDSRFWYUMAFIB-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-15-13(17)7-6-11-5-3-9-2-4-10(14)8-12(9)16-11/h2-8H,1H3,(H,15,17)/b7-6+.
What are the key properties of (E)-3-(7-chloroquinolin-2-yl)-N-methylprop-2-enamide?
(E)-3-(7-chloroquinolin-2-yl)-N-methylprop-2-enamide has a molecular weight of 246.70 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(7-chloroquinolin-2-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 110490314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).