N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide

C18H20N2O2 — CID 137259660

IUPACN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide
SMILESCC1=C(C)C2C=C/C(=N\C(=O)C3CC=CCC3)C=C2NC1=O
InChIInChI=1S/C18H20N2O2/c1-11-12(2)17(21)20-16-10-14(8-9-15(11)16)19-18(22)13-6-4-3-5-7-13/h3-4,8-10,13,15H,5-7H2,1-2H3,(H,20,21)/b19-14+
InChIKeyDXZZHWQUGWHFCX-XMHGGMMESA-N
MW296.37 g/mol
LogP2.85
Rot. Bonds1

About N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide

N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide (PubChem CID 137259660) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide
PubChem CID137259660
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide
SMILESCC1=C(C)C2C=C/C(=N\C(=O)C3CC=CCC3)C=C2NC1=O
InChIInChI=1S/C18H20N2O2/c1-11-12(2)17(21)20-16-10-14(8-9-15(11)16)19-18(22)13-6-4-3-5-7-13/h3-4,8-10,13,15H,5-7H2,1-2H3,(H,20,21)/b19-14+
InChIKeyDXZZHWQUGWHFCX-XMHGGMMESA-N
XLogP2.85
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide (CID 137259660) is N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide is CC1=C(C)C2C=C/C(=N\C(=O)C3CC=CCC3)C=C2NC1=O.
What is the InChIKey of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide?
The InChIKey is DXZZHWQUGWHFCX-XMHGGMMESA-N. The full InChI is InChI=1S/C18H20N2O2/c1-11-12(2)17(21)20-16-10-14(8-9-15(11)16)19-18(22)13-6-4-3-5-7-13/h3-4,8-10,13,15H,5-7H2,1-2H3,(H,20,21)/b19-14+.
What are the key properties of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide?
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 137259660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).