4-[2,4-bis(phenylmethoxy)quinolin-3-yl]benzoic acid

C30H23NO4 — CID 71469690

IUPAC4-[2,4-bis(phenylmethoxy)quinolin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2c(OCc3ccccc3)nc3ccccc3c2OCc2ccccc2)cc1
InChIInChI=1S/C30H23NO4/c32-30(33)24-17-15-23(16-18-24)27-28(34-19-21-9-3-1-4-10-21)25-13-7-8-14-26(25)31-29(27)35-20-22-11-5-2-6-12-22/h1-18H,19-20H2,(H,32,33)
InChIKeyKIRILPAXMRNTFA-UHFFFAOYSA-N
MW461.52 g/mol
LogP6.76
Rot. Bonds8

About 4-[2,4-bis(phenylmethoxy)quinolin-3-yl]benzoic acid

4-[2,4-bis(phenylmethoxy)quinolin-3-yl]benzoic acid (PubChem CID 71469690) has the molecular formula C30H23NO4 and a molecular weight of 461.52 g/mol. Its IUPAC name is 4-[2,4-bis(phenylmethoxy)quinolin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[2,4-bis(phenylmethoxy)quinolin-3-yl]benzoic acid
PubChem CID71469690
Molecular FormulaC30H23NO4
Molecular Weight461.52 g/mol
Exact Mass461.16
IUPAC Name4-[2,4-bis(phenylmethoxy)quinolin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2c(OCc3ccccc3)nc3ccccc3c2OCc2ccccc2)cc1
InChIInChI=1S/C30H23NO4/c32-30(33)24-17-15-23(16-18-24)27-28(34-19-21-9-3-1-4-10-21)25-13-7-8-14-26(25)31-29(27)35-20-22-11-5-2-6-12-22/h1-18H,19-20H2,(H,32,33)
InChIKeyKIRILPAXMRNTFA-UHFFFAOYSA-N
XLogP6.76
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.52
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-nitrophenyl)-2,4-bis(phenylmethoxy)quinoline
CID 71469733
4-phenylmethoxyquinazoline-7-carboxylic acid
CID 63262504
4-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid
CID 142907394
4-phenylmethoxybenzoic acid
CID 68896574
4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid
CID 18973964
CID 6334341
CID 6334341
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
4-(4-phenylmethoxyphenyl)isoquinoline-6-carboxylic acid
CID 122457464
4-hydroxy-3-phenyl-5-phenylmethoxypyrano[2,3-b]quinolin-2-one
CID 71384012
2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline
CID 23852658
N,N-dimethyl-4-(4-phenylmethoxyphthalazin-1-yl)benzamide
CID 23876950
6-chloro-5-ethyl-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid
CID 159161134

Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis(phenylmethoxy)quinolin-3-yl]benzoic acid?
The IUPAC name of 4-[2,4-bis(phenylmethoxy)quinolin-3-yl]benzoic acid (CID 71469690) is 4-[2,4-bis(phenylmethoxy)quinolin-3-yl]benzoic acid.
What is the SMILES notation for 4-[2,4-bis(phenylmethoxy)quinolin-3-yl]benzoic acid?
The canonical SMILES for 4-[2,4-bis(phenylmethoxy)quinolin-3-yl]benzoic acid is O=C(O)c1ccc(-c2c(OCc3ccccc3)nc3ccccc3c2OCc2ccccc2)cc1.
What is the InChIKey of 4-[2,4-bis(phenylmethoxy)quinolin-3-yl]benzoic acid?
The InChIKey is KIRILPAXMRNTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23NO4/c32-30(33)24-17-15-23(16-18-24)27-28(34-19-21-9-3-1-4-10-21)25-13-7-8-14-26(25)31-29(27)35-20-22-11-5-2-6-12-22/h1-18H,19-20H2,(H,32,33).
What are the key properties of 4-[2,4-bis(phenylmethoxy)quinolin-3-yl]benzoic acid?
4-[2,4-bis(phenylmethoxy)quinolin-3-yl]benzoic acid has a molecular weight of 461.52 g/mol, XLogP of 6.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis(phenylmethoxy)quinolin-3-yl]benzoic acid is sourced from PubChem (CID 71469690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).