benzyl 8-phenylmethoxyquinoline-7-carboxylate

C24H19NO3 — CID 77134381

IUPACbenzyl 8-phenylmethoxyquinoline-7-carboxylate
SMILESO=C(OCc1ccccc1)c1ccc2cccnc2c1OCc1ccccc1
InChIInChI=1S/C24H19NO3/c26-24(28-17-19-10-5-2-6-11-19)21-14-13-20-12-7-15-25-22(20)23(21)27-16-18-8-3-1-4-9-18/h1-15H,16-17H2
InChIKeyKHRZTUDKDVGMDA-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.17
Rot. Bonds6

About benzyl 8-phenylmethoxyquinoline-7-carboxylate

benzyl 8-phenylmethoxyquinoline-7-carboxylate (PubChem CID 77134381) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is benzyl 8-phenylmethoxyquinoline-7-carboxylate.

Molecular Properties

Compound Namebenzyl 8-phenylmethoxyquinoline-7-carboxylate
PubChem CID77134381
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Namebenzyl 8-phenylmethoxyquinoline-7-carboxylate
SMILESO=C(OCc1ccccc1)c1ccc2cccnc2c1OCc1ccccc1
InChIInChI=1S/C24H19NO3/c26-24(28-17-19-10-5-2-6-11-19)21-14-13-20-12-7-15-25-22(20)23(21)27-16-18-8-3-1-4-9-18/h1-15H,16-17H2
InChIKeyKHRZTUDKDVGMDA-UHFFFAOYSA-N
XLogP5.17
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl pyrene-1-carboxylate
CID 71374749
7-methoxy-8-phenylmethoxyquinoline
CID 67057987
benzyl 2-ethoxypyridine-3-carboxylate
CID 2369615
benzyl 3-(hydroxymethyl)pyridine-2-carboxylate
CID 145128484
3-phenyl-3-(8-phenylmethoxyquinolin-7-yl)propane-1,2-diol
CID 66545727
benzyl 4-iodonaphthalene-1-carboxylate
CID 138644772
benzyl 2,6-difluoropyridine-3-carboxylate
CID 20501992
(4-hydroxyphenyl)methyl 1-hydroxynaphthalene-2-carboxylate
CID 163643445
2-phenyl-1-quinolin-8-ylethanone
CID 10999362
benzyl 3-amino-2-methoxybenzoate;hydrochloride
CID 67245943
benzyl 4-chloro-2-phenylmethoxybenzoate
CID 66989997
benzyl 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-3-carboxylate
CID 15866758

Frequently Asked Questions

What is the IUPAC name of benzyl 8-phenylmethoxyquinoline-7-carboxylate?
The IUPAC name of benzyl 8-phenylmethoxyquinoline-7-carboxylate (CID 77134381) is benzyl 8-phenylmethoxyquinoline-7-carboxylate.
What is the SMILES notation for benzyl 8-phenylmethoxyquinoline-7-carboxylate?
The canonical SMILES for benzyl 8-phenylmethoxyquinoline-7-carboxylate is O=C(OCc1ccccc1)c1ccc2cccnc2c1OCc1ccccc1.
What is the InChIKey of benzyl 8-phenylmethoxyquinoline-7-carboxylate?
The InChIKey is KHRZTUDKDVGMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c26-24(28-17-19-10-5-2-6-11-19)21-14-13-20-12-7-15-25-22(20)23(21)27-16-18-8-3-1-4-9-18/h1-15H,16-17H2.
What are the key properties of benzyl 8-phenylmethoxyquinoline-7-carboxylate?
benzyl 8-phenylmethoxyquinoline-7-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 8-phenylmethoxyquinoline-7-carboxylate is sourced from PubChem (CID 77134381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).