(Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide

C20H15ClN4O — CID 108836033

IUPAC(Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide
SMILESN#C/C(=C/Nc1cccc2cccnc12)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C20H15ClN4O/c21-17-8-2-1-5-15(17)12-25-20(26)16(11-22)13-24-18-9-3-6-14-7-4-10-23-19(14)18/h1-10,13,24H,12H2,(H,25,26)/b16-13-
InChIKeyJKCPPJLPCLLRTD-SSZFMOIBSA-N
MW362.82 g/mol
LogP4.02
Rot. Bonds5

About (Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide

(Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide (PubChem CID 108836033) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is (Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide
PubChem CID108836033
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name(Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide
SMILESN#C/C(=C/Nc1cccc2cccnc12)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C20H15ClN4O/c21-17-8-2-1-5-15(17)12-25-20(26)16(11-22)13-24-18-9-3-6-14-7-4-10-23-19(14)18/h1-10,13,24H,12H2,(H,25,26)/b16-13-
InChIKeyJKCPPJLPCLLRTD-SSZFMOIBSA-N
XLogP4.02
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.02
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

(Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108835918
(Z)-N-tert-butyl-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide
CID 108837898
(Z)-3-(5-chloro-2-hydroxyanilino)-N-[(2-chlorophenyl)methyl]-2-cyanoprop-2-enamide
CID 108835910
N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide
CID 51307001
(Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(2-hydroxy-4-methylanilino)prop-2-enamide
CID 108836052
(Z)-N-(3-butoxypropyl)-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide
CID 108837152
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide
CID 108818817
3-[[(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid
CID 108835770
(Z)-3-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]-2-cyanoprop-2-enamide
CID 108835879
(Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(2,4,6-trimethylanilino)prop-2-enamide
CID 108835864
(Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108839715
(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825051

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide?
The IUPAC name of (Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide (CID 108836033) is (Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide is N#C/C(=C/Nc1cccc2cccnc12)C(=O)NCc1ccccc1Cl.
What is the InChIKey of (Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide?
The InChIKey is JKCPPJLPCLLRTD-SSZFMOIBSA-N. The full InChI is InChI=1S/C20H15ClN4O/c21-17-8-2-1-5-15(17)12-25-20(26)16(11-22)13-24-18-9-3-6-14-7-4-10-23-19(14)18/h1-10,13,24H,12H2,(H,25,26)/b16-13-.
What are the key properties of (Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide?
(Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide has a molecular weight of 362.82 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide is sourced from PubChem (CID 108836033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).