4-ethoxy-N-(2-methylbenzo[h]quinolin-4-yl)benzamide

C23H20N2O2 — CID 46308068

IUPAC4-ethoxy-N-(2-methylbenzo[h]quinolin-4-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C23H20N2O2/c1-3-27-18-11-8-17(9-12-18)23(26)25-21-14-15(2)24-22-19-7-5-4-6-16(19)10-13-20(21)22/h4-14H,3H2,1-2H3,(H,24,25,26)
InChIKeyFMCVPUHJXMISOP-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.35
Rot. Bonds4

About 4-ethoxy-N-(2-methylbenzo[h]quinolin-4-yl)benzamide

4-ethoxy-N-(2-methylbenzo[h]quinolin-4-yl)benzamide (PubChem CID 46308068) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-ethoxy-N-(2-methylbenzo[h]quinolin-4-yl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-methylbenzo[h]quinolin-4-yl)benzamide
PubChem CID46308068
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name4-ethoxy-N-(2-methylbenzo[h]quinolin-4-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C23H20N2O2/c1-3-27-18-11-8-17(9-12-18)23(26)25-21-14-15(2)24-22-19-7-5-4-6-16(19)10-13-20(21)22/h4-14H,3H2,1-2H3,(H,24,25,26)
InChIKeyFMCVPUHJXMISOP-UHFFFAOYSA-N
XLogP5.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-(2-methylbenzo[h]quinolin-4-yl)benzamide
CID 46308049
N-(2-acetamidophenyl)-4-ethoxybenzamide
CID 891466
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
4-ethoxy-N-[6-[(4-ethoxybenzoyl)amino]-2-pyridinyl]benzamide
CID 4204904
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-ethoxybenzamide
CID 41077216
4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 1350175
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide
CID 1109001
N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide
CID 91687646
N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
CID 9022506
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-methylbenzo[h]quinolin-4-yl)benzamide?
The IUPAC name of 4-ethoxy-N-(2-methylbenzo[h]quinolin-4-yl)benzamide (CID 46308068) is 4-ethoxy-N-(2-methylbenzo[h]quinolin-4-yl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(2-methylbenzo[h]quinolin-4-yl)benzamide?
The canonical SMILES for 4-ethoxy-N-(2-methylbenzo[h]quinolin-4-yl)benzamide is CCOc1ccc(C(=O)Nc2cc(C)nc3c2ccc2ccccc23)cc1.
What is the InChIKey of 4-ethoxy-N-(2-methylbenzo[h]quinolin-4-yl)benzamide?
The InChIKey is FMCVPUHJXMISOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-3-27-18-11-8-17(9-12-18)23(26)25-21-14-15(2)24-22-19-7-5-4-6-16(19)10-13-20(21)22/h4-14H,3H2,1-2H3,(H,24,25,26).
What are the key properties of 4-ethoxy-N-(2-methylbenzo[h]quinolin-4-yl)benzamide?
4-ethoxy-N-(2-methylbenzo[h]quinolin-4-yl)benzamide has a molecular weight of 356.43 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-methylbenzo[h]quinolin-4-yl)benzamide is sourced from PubChem (CID 46308068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).