3-(4,7-dichloroquinolin-2-yl)-5-methoxybenzoic acid;methanamine

C18H16Cl2N2O3 — CID 162750667

IUPAC3-(4,7-dichloroquinolin-2-yl)-5-methoxybenzoic acid;methanamine
SMILESCN.COc1cc(C(=O)O)cc(-c2cc(Cl)c3ccc(Cl)cc3n2)c1
InChIInChI=1S/C17H11Cl2NO3.CH5N/c1-23-12-5-9(4-10(6-12)17(21)22)15-8-14(19)13-3-2-11(18)7-16(13)20-15;1-2/h2-8H,1H3,(H,21,22);2H2,1H3
InChIKeyAYLVRNRPAYWZEU-UHFFFAOYSA-N
MW379.24 g/mol
LogP4.49
Rot. Bonds3

About 3-(4,7-dichloroquinolin-2-yl)-5-methoxybenzoic acid;methanamine

3-(4,7-dichloroquinolin-2-yl)-5-methoxybenzoic acid;methanamine (PubChem CID 162750667) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is 3-(4,7-dichloroquinolin-2-yl)-5-methoxybenzoic acid;methanamine.

Molecular Properties

Compound Name3-(4,7-dichloroquinolin-2-yl)-5-methoxybenzoic acid;methanamine
PubChem CID162750667
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name3-(4,7-dichloroquinolin-2-yl)-5-methoxybenzoic acid;methanamine
SMILESCN.COc1cc(C(=O)O)cc(-c2cc(Cl)c3ccc(Cl)cc3n2)c1
InChIInChI=1S/C17H11Cl2NO3.CH5N/c1-23-12-5-9(4-10(6-12)17(21)22)15-8-14(19)13-3-2-11(18)7-16(13)20-15;1-2/h2-8H,1H3,(H,21,22);2H2,1H3
InChIKeyAYLVRNRPAYWZEU-UHFFFAOYSA-N
XLogP4.49
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-methoxybenzoic acid
CID 162751512
3-(2,4-dichlorophenyl)-5-methoxybenzoic acid
CID 53227681
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid
CID 53228184
4,7-dichloroquinoline-2-carboxylic acid
CID 21426380
7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 162442508
6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960
4,7-dichloro-2-methoxyquinoline
CID 21101818
7-chloro-2-phenylquinoline-4-carboxylic acid;deuterium monohydride;methyl 7-chloro-2-phenylquinoline-4-carboxylate
CID 159549627
3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-hydroxybenzoic acid
CID 162751496
4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)quinoline
CID 70978267
2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642

Frequently Asked Questions

What is the IUPAC name of 3-(4,7-dichloroquinolin-2-yl)-5-methoxybenzoic acid;methanamine?
The IUPAC name of 3-(4,7-dichloroquinolin-2-yl)-5-methoxybenzoic acid;methanamine (CID 162750667) is 3-(4,7-dichloroquinolin-2-yl)-5-methoxybenzoic acid;methanamine.
What is the SMILES notation for 3-(4,7-dichloroquinolin-2-yl)-5-methoxybenzoic acid;methanamine?
The canonical SMILES for 3-(4,7-dichloroquinolin-2-yl)-5-methoxybenzoic acid;methanamine is CN.COc1cc(C(=O)O)cc(-c2cc(Cl)c3ccc(Cl)cc3n2)c1.
What is the InChIKey of 3-(4,7-dichloroquinolin-2-yl)-5-methoxybenzoic acid;methanamine?
The InChIKey is AYLVRNRPAYWZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO3.CH5N/c1-23-12-5-9(4-10(6-12)17(21)22)15-8-14(19)13-3-2-11(18)7-16(13)20-15;1-2/h2-8H,1H3,(H,21,22);2H2,1H3.
What are the key properties of 3-(4,7-dichloroquinolin-2-yl)-5-methoxybenzoic acid;methanamine?
3-(4,7-dichloroquinolin-2-yl)-5-methoxybenzoic acid;methanamine has a molecular weight of 379.24 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,7-dichloroquinolin-2-yl)-5-methoxybenzoic acid;methanamine is sourced from PubChem (CID 162750667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).