2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid

C20H18ClNO3 — CID 3441823

IUPAC2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid
SMILESCOc1ccc(Cl)cc1-c1cc(C(=O)O)c2cc(C(C)C)ccc2n1
InChIInChI=1S/C20H18ClNO3/c1-11(2)12-4-6-17-14(8-12)15(20(23)24)10-18(22-17)16-9-13(21)5-7-19(16)25-3/h4-11H,1-3H3,(H,23,24)
InChIKeyMVFUIQYRPGSUJE-UHFFFAOYSA-N
MW355.82 g/mol
LogP5.39
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid

2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid (PubChem CID 3441823) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid
PubChem CID3441823
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid
SMILESCOc1ccc(Cl)cc1-c1cc(C(=O)O)c2cc(C(C)C)ccc2n1
InChIInChI=1S/C20H18ClNO3/c1-11(2)12-4-6-17-14(8-12)15(20(23)24)10-18(22-17)16-9-13(21)5-7-19(16)25-3/h4-11H,1-3H3,(H,23,24)
InChIKeyMVFUIQYRPGSUJE-UHFFFAOYSA-N
XLogP5.39
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.82
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960
6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779420
6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 138811121
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642
2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 4619139
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3998413
6-chloro-2-(2-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide
CID 7472546
6-butan-2-yl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 3384731
2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 4001748
2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 134913947

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid (CID 3441823) is 2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid is COc1ccc(Cl)cc1-c1cc(C(=O)O)c2cc(C(C)C)ccc2n1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid?
The InChIKey is MVFUIQYRPGSUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-11(2)12-4-6-17-14(8-12)15(20(23)24)10-18(22-17)16-9-13(21)5-7-19(16)25-3/h4-11H,1-3H3,(H,23,24).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid?
2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid has a molecular weight of 355.82 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 3441823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).