5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;5-(diethylaminomethyl)-1H-imidazole-2-carboxamide

C27H29Cl2N5O5 — CID 87509323

IUPAC5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;5-(diethylaminomethyl)-1H-imidazole-2-carboxamide
SMILESCCN(CC)Cc1cnc(C(N)=O)[nH]1.COc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3ncccc23)c1Cl
InChIInChI=1S/C18H13Cl2NO4.C9H16N4O/c1-24-12-8-13(25-2)16(20)14(15(12)19)9-5-6-11(18(22)23)17-10(9)4-3-7-21-17;1-3-13(4-2)6-7-5-11-9(12-7)8(10)14/h3-8H,1-2H3,(H,22,23);5H,3-4,6H2,1-2H3,(H2,10,14)(H,11,12)
InChIKeyGBCZNQQAKSOIJP-UHFFFAOYSA-N
MW574.47 g/mol
LogP5.27
Rot. Bonds9

About 5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;5-(diethylaminomethyl)-1H-imidazole-2-carboxamide

5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;5-(diethylaminomethyl)-1H-imidazole-2-carboxamide (PubChem CID 87509323) has the molecular formula C27H29Cl2N5O5 and a molecular weight of 574.47 g/mol. Its IUPAC name is 5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;5-(diethylaminomethyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;5-(diethylaminomethyl)-1H-imidazole-2-carboxamide
PubChem CID87509323
Molecular FormulaC27H29Cl2N5O5
Molecular Weight574.47 g/mol
Exact Mass573.15
IUPAC Name5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;5-(diethylaminomethyl)-1H-imidazole-2-carboxamide
SMILESCCN(CC)Cc1cnc(C(N)=O)[nH]1.COc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3ncccc23)c1Cl
InChIInChI=1S/C18H13Cl2NO4.C9H16N4O/c1-24-12-8-13(25-2)16(20)14(15(12)19)9-5-6-11(18(22)23)17-10(9)4-3-7-21-17;1-3-13(4-2)6-7-5-11-9(12-7)8(10)14/h3-8H,1-2H3,(H,22,23);5H,3-4,6H2,1-2H3,(H2,10,14)(H,11,12)
InChIKeyGBCZNQQAKSOIJP-UHFFFAOYSA-N
XLogP5.27
TPSA143.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.47
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(diethylaminomethyl)-1H-imidazol-2-amine
CID 87509655
5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;sulfuryl dichloride
CID 87202475
8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(morpholin-4-ylmethyl)-1H-imidazole-2-carboxamide
CID 87509279
8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[[ethyl(methyl)amino]methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide
CID 89284752
8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;1H-pyrazole-5-carboxamide
CID 87509108
8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid
CID 160668998
N-(1-benzylimidazol-2-yl)-5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxamide;5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;4-(4-ethylpiperazin-1-yl)aniline
CID 87513879
5-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoline-8-carboxamide
CID 89274164
8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;6-(piperazin-1-ylmethyl)pyridin-3-amine
CID 87509466
[5-(2,6-dichloro-3,5-dimethoxyphenyl)quinolin-8-yl] N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]carbamate
CID 118322071
8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(5-formyl-1H-imidazol-2-yl)quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-amine
CID 87513671
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039992

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;5-(diethylaminomethyl)-1H-imidazole-2-carboxamide?
The IUPAC name of 5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;5-(diethylaminomethyl)-1H-imidazole-2-carboxamide (CID 87509323) is 5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;5-(diethylaminomethyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;5-(diethylaminomethyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;5-(diethylaminomethyl)-1H-imidazole-2-carboxamide is CCN(CC)Cc1cnc(C(N)=O)[nH]1.COc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3ncccc23)c1Cl.
What is the InChIKey of 5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;5-(diethylaminomethyl)-1H-imidazole-2-carboxamide?
The InChIKey is GBCZNQQAKSOIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO4.C9H16N4O/c1-24-12-8-13(25-2)16(20)14(15(12)19)9-5-6-11(18(22)23)17-10(9)4-3-7-21-17;1-3-13(4-2)6-7-5-11-9(12-7)8(10)14/h3-8H,1-2H3,(H,22,23);5H,3-4,6H2,1-2H3,(H2,10,14)(H,11,12).
What are the key properties of 5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;5-(diethylaminomethyl)-1H-imidazole-2-carboxamide?
5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;5-(diethylaminomethyl)-1H-imidazole-2-carboxamide has a molecular weight of 574.47 g/mol, XLogP of 5.27, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;5-(diethylaminomethyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 87509323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).