8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

C24H18NO3- — CID 7139650

IUPAC8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
SMILESCc1cccc2c(C(=O)[O-])cc(-c3ccc(OCc4ccccc4)cc3)nc12
InChIInChI=1S/C24H19NO3/c1-16-6-5-9-20-21(24(26)27)14-22(25-23(16)20)18-10-12-19(13-11-18)28-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,26,27)/p-1
InChIKeyVGTWNZZUYPDRNS-UHFFFAOYSA-M
MW368.41 g/mol
LogP4.15
Rot. Bonds5

About 8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate (PubChem CID 7139650) has the molecular formula C24H18NO3- and a molecular weight of 368.41 g/mol. Its IUPAC name is 8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
PubChem CID7139650
Molecular FormulaC24H18NO3-
Molecular Weight368.41 g/mol
Exact Mass368.13
IUPAC Name8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
SMILESCc1cccc2c(C(=O)[O-])cc(-c3ccc(OCc4ccccc4)cc3)nc12
InChIInChI=1S/C24H19NO3/c1-16-6-5-9-20-21(24(26)27)14-22(25-23(16)20)18-10-12-19(13-11-18)28-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,26,27)/p-1
InChIKeyVGTWNZZUYPDRNS-UHFFFAOYSA-M
XLogP4.15
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 4746270
2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate
CID 6975057
8-methyl-2-(4-pentoxyphenyl)quinoline-4-carboxylic acid
CID 7139668
potassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate
CID 23686845
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid
CID 7139641
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644
N-benzyl-8-methyl-2-phenylquinoline-4-carboxamide
CID 3639002
6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 7048477
6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711645
2-(2-methoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate
CID 7139665
3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
CID 4134698
(4-methylphenyl) 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate
CID 5159721

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of 8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate (CID 7139650) is 8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for 8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for 8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate is Cc1cccc2c(C(=O)[O-])cc(-c3ccc(OCc4ccccc4)cc3)nc12.
What is the InChIKey of 8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate?
The InChIKey is VGTWNZZUYPDRNS-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H19NO3/c1-16-6-5-9-20-21(24(26)27)14-22(25-23(16)20)18-10-12-19(13-11-18)28-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,26,27)/p-1.
What are the key properties of 8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate?
8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate has a molecular weight of 368.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 7139650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).