N-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide

C24H22N2O2 — CID 55753701

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide
SMILESCCOCc1ccccc1CNC(=O)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C24H22N2O2/c1-2-28-16-19-10-4-3-9-18(19)15-26-24(27)22-14-17-8-5-6-11-20(17)21-12-7-13-25-23(21)22/h3-14H,2,15-16H2,1H3,(H,26,27)
InChIKeyRFBSDICPMCECQD-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.85
Rot. Bonds6

About N-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide

N-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide (PubChem CID 55753701) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide
PubChem CID55753701
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide
SMILESCCOCc1ccccc1CNC(=O)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C24H22N2O2/c1-2-28-16-19-10-4-3-9-18(19)15-26-24(27)22-14-17-8-5-6-11-20(17)21-12-7-13-25-23(21)22/h3-14H,2,15-16H2,1H3,(H,26,27)
InChIKeyRFBSDICPMCECQD-UHFFFAOYSA-N
XLogP4.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.85
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

N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 56517786
N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide
CID 110893927
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55841050
2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752326
N-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55754135
N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 37397845
N-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide
CID 60610166
4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide
CID 86938100
N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 37399073
N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55953532
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55893796
N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide
CID 115598832

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide (CID 55753701) is N-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide is CCOCc1ccccc1CNC(=O)c1cc2ccccc2c2cccnc12.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide?
The InChIKey is RFBSDICPMCECQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-2-28-16-19-10-4-3-9-18(19)15-26-24(27)22-14-17-8-5-6-11-20(17)21-12-7-13-25-23(21)22/h3-14H,2,15-16H2,1H3,(H,26,27).
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide?
N-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide is sourced from PubChem (CID 55753701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).