(4-chlorophenyl)methyl quinoline-2-carboxylate

C17H12ClNO2 — CID 2630806

IUPAC(4-chlorophenyl)methyl quinoline-2-carboxylate
SMILESO=C(OCc1ccc(Cl)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C17H12ClNO2/c18-14-8-5-12(6-9-14)11-21-17(20)16-10-7-13-3-1-2-4-15(13)19-16/h1-10H,11H2
InChIKeyVXVAVUVPSYMVCC-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.25
Rot. Bonds3

About (4-chlorophenyl)methyl quinoline-2-carboxylate

(4-chlorophenyl)methyl quinoline-2-carboxylate (PubChem CID 2630806) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is (4-chlorophenyl)methyl quinoline-2-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl quinoline-2-carboxylate
PubChem CID2630806
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name(4-chlorophenyl)methyl quinoline-2-carboxylate
SMILESO=C(OCc1ccc(Cl)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C17H12ClNO2/c18-14-8-5-12(6-9-14)11-21-17(20)16-10-7-13-3-1-2-4-15(13)19-16/h1-10H,11H2
InChIKeyVXVAVUVPSYMVCC-UHFFFAOYSA-N
XLogP4.25
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylphenyl)methyl quinoline-2-carboxylate
CID 4968223
2-(4-chlorophenyl)-1-quinolin-2-ylethanone
CID 63222375
(3-methylphenyl)methyl quinoline-2-carboxylate
CID 7813134
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate
CID 9291598
N-phenylmethoxyquinoline-2-carboxamide
CID 9227229
(5-methyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate
CID 7812565
(2-chloro-7-methylsulfanylquinolin-3-yl)methyl quinoline-2-carboxylate
CID 7433982
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl quinoline-2-carboxylate
CID 27677382
(2-carbamoylphenyl) quinoline-2-carboxylate
CID 139568542
(2-bromo-4,5-dimethoxyphenyl)methyl quinoline-2-carboxylate
CID 8862362
[2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate
CID 2693091
N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide
CID 41448498

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl quinoline-2-carboxylate?
The IUPAC name of (4-chlorophenyl)methyl quinoline-2-carboxylate (CID 2630806) is (4-chlorophenyl)methyl quinoline-2-carboxylate.
What is the SMILES notation for (4-chlorophenyl)methyl quinoline-2-carboxylate?
The canonical SMILES for (4-chlorophenyl)methyl quinoline-2-carboxylate is O=C(OCc1ccc(Cl)cc1)c1ccc2ccccc2n1.
What is the InChIKey of (4-chlorophenyl)methyl quinoline-2-carboxylate?
The InChIKey is VXVAVUVPSYMVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c18-14-8-5-12(6-9-14)11-21-17(20)16-10-7-13-3-1-2-4-15(13)19-16/h1-10H,11H2.
What are the key properties of (4-chlorophenyl)methyl quinoline-2-carboxylate?
(4-chlorophenyl)methyl quinoline-2-carboxylate has a molecular weight of 297.74 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl quinoline-2-carboxylate is sourced from PubChem (CID 2630806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).