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

C17H18N2O2 — CID 137259299

IUPACN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)C3CC=CCC3)C=CC12
InChIInChI=1S/C17H18N2O2/c1-11-9-16(20)19-15-10-13(7-8-14(11)15)18-17(21)12-5-3-2-4-6-12/h2-3,7-10,12,14H,4-6H2,1H3,(H,19,20)/b18-13+
InChIKeyYUFHVWSFBQBUIR-QGOAFFKASA-N
MW282.34 g/mol
LogP2.46
Rot. Bonds1

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

N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide (PubChem CID 137259299) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide
PubChem CID137259299
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)C3CC=CCC3)C=CC12
InChIInChI=1S/C17H18N2O2/c1-11-9-16(20)19-15-10-13(7-8-14(11)15)18-17(21)12-5-3-2-4-6-12/h2-3,7-10,12,14H,4-6H2,1H3,(H,19,20)/b18-13+
InChIKeyYUFHVWSFBQBUIR-QGOAFFKASA-N
XLogP2.46
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.46
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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Related Compounds

N-(4-butyl-2-oxo-3H-quinolin-7-yl)-3-cyclopropylpropanamide
CID 123357744
N-[4-[1-(4a,5-dihydroquinolin-8-ylamino)-1-oxopropan-2-yl]cyclohexa-1,5-dien-1-yl]-3-methylbutanamide
CID 163572218
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopropanecarboxamide
CID 137258008
1-acetyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)piperidine-4-carboxamide
CID 137259155
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259156
2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
CID 137259157
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pentanamide
CID 137259158
3-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259159
3,3-dimethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259160
2-ethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259161
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide
CID 137259162
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopentanecarboxamide
CID 137259163

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide (CID 137259299) is N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide is CC1=CC(=O)NC2=C/C(=N/C(=O)C3CC=CCC3)C=CC12.
What is the InChIKey of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide?
The InChIKey is YUFHVWSFBQBUIR-QGOAFFKASA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-9-16(20)19-15-10-13(7-8-14(11)15)18-17(21)12-5-3-2-4-6-12/h2-3,7-10,12,14H,4-6H2,1H3,(H,19,20)/b18-13+.
What are the key properties of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide?
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 137259299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).