(E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-quinoxalin-2-ylprop-2-enamide

C19H20N4O — CID 9353235

IUPAC(E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cnc2ccccc2n1
InChIInChI=1S/C19H20N4O/c1-13-6-2-3-7-16(13)23-19(24)14(11-20)10-15-12-21-17-8-4-5-9-18(17)22-15/h4-5,8-10,12-13,16H,2-3,6-7H2,1H3,(H,23,24)/b14-10+/t13-,16-/m0/s1
InChIKeyHCOMGFCMWISEEA-HCJRSGCNSA-N
MW320.40 g/mol
LogP3.23
Rot. Bonds3

About (E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-quinoxalin-2-ylprop-2-enamide

(E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 9353235) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is (E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-quinoxalin-2-ylprop-2-enamide
PubChem CID9353235
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name(E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cnc2ccccc2n1
InChIInChI=1S/C19H20N4O/c1-13-6-2-3-7-16(13)23-19(24)14(11-20)10-15-12-21-17-8-4-5-9-18(17)22-15/h4-5,8-10,12-13,16H,2-3,6-7H2,1H3,(H,23,24)/b14-10+/t13-,16-/m0/s1
InChIKeyHCOMGFCMWISEEA-HCJRSGCNSA-N
XLogP3.23
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
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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Launch Full Analysis

Related Compounds

(E)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]-3-phenylprop-2-enamide
CID 7515644
2-cyano-3-[3-[2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]phenyl]-N-(2-methylcyclohexyl)prop-2-enamide
CID 4617152
(E)-2-cyano-3-(4-hydroxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide
CID 7515651
(E)-3-anthracen-9-yl-2-cyano-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide
CID 7275650
(E)-2-cyano-N-[(1R,2S)-2-methylcyclohexyl]-3-pyridin-4-ylprop-2-enamide
CID 7040869
(E)-2-cyano-N-[(1R,2R)-2-methylcyclohexyl]-3-pyridin-4-ylprop-2-enamide
CID 7481059
(E)-2-cyano-3-(2-ethoxyphenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide
CID 7992313
(E)-3-(4-chlorophenyl)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]prop-2-enamide
CID 7275640
(E)-3-(4-chlorophenyl)-2-cyano-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide
CID 7275638
2-cyano-3-(3-hydroxyphenyl)-N-(2-methylcyclohexyl)prop-2-enamide
CID 3453433
(2E,4E)-2-cyano-N-(2-methylcyclohexyl)-5-phenylpenta-2,4-dienamide
CID 5349952
(Z)-2-cyano-3-(2,4-dichlorophenyl)-N-(2-methylcyclohexyl)prop-2-enamide
CID 44784690

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-quinoxalin-2-ylprop-2-enamide (CID 9353235) is (E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-quinoxalin-2-ylprop-2-enamide is C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cnc2ccccc2n1.
What is the InChIKey of (E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is HCOMGFCMWISEEA-HCJRSGCNSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-6-2-3-7-16(13)23-19(24)14(11-20)10-15-12-21-17-8-4-5-9-18(17)22-15/h4-5,8-10,12-13,16H,2-3,6-7H2,1H3,(H,23,24)/b14-10+/t13-,16-/m0/s1.
What are the key properties of (E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-quinoxalin-2-ylprop-2-enamide?
(E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 320.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 9353235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).