benzyl 1,4-dihydroquinoline-3-carboxylate

C17H15NO2 — CID 143406965

IUPACbenzyl 1,4-dihydroquinoline-3-carboxylate
SMILESO=C(OCc1ccccc1)C1=CNc2ccccc2C1
InChIInChI=1S/C17H15NO2/c19-17(20-12-13-6-2-1-3-7-13)15-10-14-8-4-5-9-16(14)18-11-15/h1-9,11,18H,10,12H2
InChIKeyMHBJKVVBBQYVNQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.28
Rot. Bonds3

About benzyl 1,4-dihydroquinoline-3-carboxylate

benzyl 1,4-dihydroquinoline-3-carboxylate (PubChem CID 143406965) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is benzyl 1,4-dihydroquinoline-3-carboxylate.

Molecular Properties

Compound Namebenzyl 1,4-dihydroquinoline-3-carboxylate
PubChem CID143406965
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Namebenzyl 1,4-dihydroquinoline-3-carboxylate
SMILESO=C(OCc1ccccc1)C1=CNc2ccccc2C1
InChIInChI=1S/C17H15NO2/c19-17(20-12-13-6-2-1-3-7-13)15-10-14-8-4-5-9-16(14)18-11-15/h1-9,11,18H,10,12H2
InChIKeyMHBJKVVBBQYVNQ-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl 1,4-dihydroquinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl benzoate
CID 2345
benzyl 4-(1,3-diphenylpropan-2-ylidene)cyclopentene-1-carboxylate
CID 132543741
benzyl 9H-fluorene-1-carboxylate
CID 148546959
benzyl cyclohexa-1,3-diene-1-carboxylate
CID 53440373
(2-phenylmethoxycarbonyl-1H-inden-5-yl)methylphosphonic acid
CID 58572991
benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724
CID 174906307
CID 174906307
2-phenylmethoxyprop-2-enoic acid
CID 14954752
benzyl propanoate;3,4-dihydro-1H-quinolin-2-one
CID 70445748
4-O-benzyl 1-O-tert-butyl 2,3-dihydropyrrole-1,4-dicarboxylate
CID 10566356
benzyl carbamate;heptahydrochloride
CID 141351835
benzyl phenylmethoxycarbonyl carbonate
CID 3649378

Frequently Asked Questions

What is the IUPAC name of benzyl 1,4-dihydroquinoline-3-carboxylate?
The IUPAC name of benzyl 1,4-dihydroquinoline-3-carboxylate (CID 143406965) is benzyl 1,4-dihydroquinoline-3-carboxylate.
What is the SMILES notation for benzyl 1,4-dihydroquinoline-3-carboxylate?
The canonical SMILES for benzyl 1,4-dihydroquinoline-3-carboxylate is O=C(OCc1ccccc1)C1=CNc2ccccc2C1.
What is the InChIKey of benzyl 1,4-dihydroquinoline-3-carboxylate?
The InChIKey is MHBJKVVBBQYVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17(20-12-13-6-2-1-3-7-13)15-10-14-8-4-5-9-16(14)18-11-15/h1-9,11,18H,10,12H2.
What are the key properties of benzyl 1,4-dihydroquinoline-3-carboxylate?
benzyl 1,4-dihydroquinoline-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1,4-dihydroquinoline-3-carboxylate is sourced from PubChem (CID 143406965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).