(E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide

C19H13N3O2 — CID 52901425

IUPAC(E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide
SMILESN#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C19H13N3O2/c20-12-14(11-13-6-8-15(23)9-7-13)19(24)22-18-5-1-4-17-16(18)3-2-10-21-17/h1-11,23H,(H,22,24)/b14-11+
InChIKeyUHYTYMNSDZETFH-SDNWHVSQSA-N
MW315.33 g/mol
LogP3.49
Rot. Bonds3

About (E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide

(E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide (PubChem CID 52901425) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is (E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide
PubChem CID52901425
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name(E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide
SMILESN#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C19H13N3O2/c20-12-14(11-13-6-8-15(23)9-7-13)19(24)22-18-5-1-4-17-16(18)3-2-10-21-17/h1-11,23H,(H,22,24)/b14-11+
InChIKeyUHYTYMNSDZETFH-SDNWHVSQSA-N
XLogP3.49
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 7559871
(Z)-2-cyano-3-(4-ethoxy-2-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide
CID 2475343
(Z)-2-cyano-3-(3-methoxy-4-phenylmethoxyphenyl)-N-quinolin-5-ylprop-2-enamide
CID 2404333
(E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
CID 7515839
2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide
CID 2873316
(Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide
CID 869414
(E)-2-cyano-N-naphthalen-1-yl-3-pyridin-3-ylprop-2-enamide
CID 2688662
(Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide
CID 1184288
2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 2790612
(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108842954
2-(4-hydroxyphenyl)-N-quinolin-5-ylacetamide
CID 78838145
(Z)-3-[5-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-cyano-N-quinolin-5-ylprop-2-enamide;hydrochloride
CID 84582900

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide (CID 52901425) is (E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide is N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc2ncccc12.
What is the InChIKey of (E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide?
The InChIKey is UHYTYMNSDZETFH-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H13N3O2/c20-12-14(11-13-6-8-15(23)9-7-13)19(24)22-18-5-1-4-17-16(18)3-2-10-21-17/h1-11,23H,(H,22,24)/b14-11+.
What are the key properties of (E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide?
(E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide has a molecular weight of 315.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide is sourced from PubChem (CID 52901425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).