(E)-3-(7-chloroquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide

C20H17ClN2O2 — CID 35559066

IUPAC(E)-3-(7-chloroquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C20H17ClN2O2/c1-13-3-9-19(25-2)18(11-13)23-20(24)10-8-16-7-5-14-4-6-15(21)12-17(14)22-16/h3-12H,1-2H3,(H,23,24)/b10-8+
InChIKeyRKLFUBLUKYAZOX-CSKARUKUSA-N
MW352.82 g/mol
LogP4.86
Rot. Bonds4

About (E)-3-(7-chloroquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide

(E)-3-(7-chloroquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide (PubChem CID 35559066) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is (E)-3-(7-chloroquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(7-chloroquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
PubChem CID35559066
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name(E)-3-(7-chloroquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C20H17ClN2O2/c1-13-3-9-19(25-2)18(11-13)23-20(24)10-8-16-7-5-14-4-6-15(21)12-17(14)22-16/h3-12H,1-2H3,(H,23,24)/b10-8+
InChIKeyRKLFUBLUKYAZOX-CSKARUKUSA-N
XLogP4.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 887196
(E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 8763498
(E)-3-(7-chloroquinolin-2-yl)-N-methylprop-2-enamide
CID 110490314
(E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 966348
N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 881730
(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 39423073
(E)-3-(1,3-benzothiazol-2-yl)-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 7740999
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 9098331
(E)-3-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 17417153
(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 9098414
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1421848
methyl 4-[3-(2-methoxy-5-methylanilino)-3-oxoprop-1-enyl]benzoate
CID 3402722

Frequently Asked Questions

What is the IUPAC name of (E)-3-(7-chloroquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(7-chloroquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide (CID 35559066) is (E)-3-(7-chloroquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(7-chloroquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(7-chloroquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide is COc1ccc(C)cc1NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1.
What is the InChIKey of (E)-3-(7-chloroquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide?
The InChIKey is RKLFUBLUKYAZOX-CSKARUKUSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-13-3-9-19(25-2)18(11-13)23-20(24)10-8-16-7-5-14-4-6-15(21)12-17(14)22-16/h3-12H,1-2H3,(H,23,24)/b10-8+.
What are the key properties of (E)-3-(7-chloroquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide?
(E)-3-(7-chloroquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide has a molecular weight of 352.82 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(7-chloroquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide is sourced from PubChem (CID 35559066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).