ethyl 4-[benzyl(ethyl)amino]benzo[h]quinoline-3-carboxylate

C25H24N2O2 — CID 23908170

IUPACethyl 4-[benzyl(ethyl)amino]benzo[h]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(ccc3ccccc32)c1N(CC)Cc1ccccc1
InChIInChI=1S/C25H24N2O2/c1-3-27(17-18-10-6-5-7-11-18)24-21-15-14-19-12-8-9-13-20(19)23(21)26-16-22(24)25(28)29-4-2/h5-16H,3-4,17H2,1-2H3
InChIKeyNSMRATIIXMTYAT-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.59
Rot. Bonds6

About ethyl 4-[benzyl(ethyl)amino]benzo[h]quinoline-3-carboxylate

ethyl 4-[benzyl(ethyl)amino]benzo[h]quinoline-3-carboxylate (PubChem CID 23908170) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is ethyl 4-[benzyl(ethyl)amino]benzo[h]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[benzyl(ethyl)amino]benzo[h]quinoline-3-carboxylate
PubChem CID23908170
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Nameethyl 4-[benzyl(ethyl)amino]benzo[h]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(ccc3ccccc32)c1N(CC)Cc1ccccc1
InChIInChI=1S/C25H24N2O2/c1-3-27(17-18-10-6-5-7-11-18)24-21-15-14-19-12-8-9-13-20(19)23(21)26-16-22(24)25(28)29-4-2/h5-16H,3-4,17H2,1-2H3
InChIKeyNSMRATIIXMTYAT-UHFFFAOYSA-N
XLogP5.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate
CID 53269421
pentabenzyl 6-[4-(dimethylamino)-3-ethoxycarbonylquinolin-8-yl]benzene-1,2,3,4,5-pentacarboxylate
CID 138722736
ethyl 4-[benzyl(methyl)amino]-6-ethoxyquinoline-3-carboxylate
CID 6621000
ethyl 2-[benzyl(methyl)amino]-4-phenylpyrimidine-5-carboxylate
CID 68644845
ethyl chrysene-1-carboxylate
CID 86251232
ethyl 2-[benzyl(naphthalene-1-carbonyl)amino]benzoate
CID 11690046
ethyl 4-chloro-8-phenylquinoline-3-carboxylate
CID 18549723
ethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate
CID 46397800
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
3-[(3-ethoxycarbonylbenzo[h]quinolin-4-yl)amino]benzoate
CID 3413955
4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830
ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride
CID 2789452

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[benzyl(ethyl)amino]benzo[h]quinoline-3-carboxylate?
The IUPAC name of ethyl 4-[benzyl(ethyl)amino]benzo[h]quinoline-3-carboxylate (CID 23908170) is ethyl 4-[benzyl(ethyl)amino]benzo[h]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[benzyl(ethyl)amino]benzo[h]quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[benzyl(ethyl)amino]benzo[h]quinoline-3-carboxylate is CCOC(=O)c1cnc2c(ccc3ccccc32)c1N(CC)Cc1ccccc1.
What is the InChIKey of ethyl 4-[benzyl(ethyl)amino]benzo[h]quinoline-3-carboxylate?
The InChIKey is NSMRATIIXMTYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-3-27(17-18-10-6-5-7-11-18)24-21-15-14-19-12-8-9-13-20(19)23(21)26-16-22(24)25(28)29-4-2/h5-16H,3-4,17H2,1-2H3.
What are the key properties of ethyl 4-[benzyl(ethyl)amino]benzo[h]quinoline-3-carboxylate?
ethyl 4-[benzyl(ethyl)amino]benzo[h]quinoline-3-carboxylate has a molecular weight of 384.48 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[benzyl(ethyl)amino]benzo[h]quinoline-3-carboxylate is sourced from PubChem (CID 23908170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).