7-chloro-8-methyl-4-(2-propoxyanilino)quinoline-3-carboxylate

C20H18ClN2O3- — CID 7137814

IUPAC7-chloro-8-methyl-4-(2-propoxyanilino)quinoline-3-carboxylate
SMILESCCCOc1ccccc1Nc1c(C(=O)[O-])cnc2c(C)c(Cl)ccc12
InChIInChI=1S/C20H19ClN2O3/c1-3-10-26-17-7-5-4-6-16(17)23-19-13-8-9-15(21)12(2)18(13)22-11-14(19)20(24)25/h4-9,11H,3,10H2,1-2H3,(H,22,23)(H,24,25)/p-1
InChIKeyTUZWFIJYZDSCNM-UHFFFAOYSA-M
MW369.83 g/mol
LogP4.09
Rot. Bonds6

About 7-chloro-8-methyl-4-(2-propoxyanilino)quinoline-3-carboxylate

7-chloro-8-methyl-4-(2-propoxyanilino)quinoline-3-carboxylate (PubChem CID 7137814) has the molecular formula C20H18ClN2O3- and a molecular weight of 369.83 g/mol. Its IUPAC name is 7-chloro-8-methyl-4-(2-propoxyanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Name7-chloro-8-methyl-4-(2-propoxyanilino)quinoline-3-carboxylate
PubChem CID7137814
Molecular FormulaC20H18ClN2O3-
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC Name7-chloro-8-methyl-4-(2-propoxyanilino)quinoline-3-carboxylate
SMILESCCCOc1ccccc1Nc1c(C(=O)[O-])cnc2c(C)c(Cl)ccc12
InChIInChI=1S/C20H19ClN2O3/c1-3-10-26-17-7-5-4-6-16(17)23-19-13-8-9-15(21)12(2)18(13)22-11-14(19)20(24)25/h4-9,11H,3,10H2,1-2H3,(H,22,23)(H,24,25)/p-1
InChIKeyTUZWFIJYZDSCNM-UHFFFAOYSA-M
XLogP4.09
TPSA74.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-8-methyl-4-(2-propoxyanilino)quinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-4-(2-ethylanilino)-8-methylquinoline-3-carboxylate
CID 2241646
ethyl 7,8-dichloro-4-(2-ethoxyanilino)quinoline-3-carboxylate
CID 23993661
7-chloro-4-[4-(dimethylamino)anilino]-8-methylquinoline-3-carboxylate
CID 2241668
1-[4-(2-methoxyanilino)-8-methylquinolin-3-yl]butan-1-one
CID 10246288
bis[2-[3-butanoyl-4-(2-methylanilino)quinolin-8-yl]oxyethyl] carbonate
CID 154825435
bis[2-[3-butanoyl-4-(2-methylanilino)quinolin-8-yl]oxyethyl] propanedioate
CID 67785783
ethyl 7-chloro-4-(4-ethoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183948
ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
4-chloro-N-(2-propoxyphenyl)pyridine-3-carboxamide
CID 81226778
4-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate
CID 54721977
ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride
CID 2789452
ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183946

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methyl-4-(2-propoxyanilino)quinoline-3-carboxylate?
The IUPAC name of 7-chloro-8-methyl-4-(2-propoxyanilino)quinoline-3-carboxylate (CID 7137814) is 7-chloro-8-methyl-4-(2-propoxyanilino)quinoline-3-carboxylate.
What is the SMILES notation for 7-chloro-8-methyl-4-(2-propoxyanilino)quinoline-3-carboxylate?
The canonical SMILES for 7-chloro-8-methyl-4-(2-propoxyanilino)quinoline-3-carboxylate is CCCOc1ccccc1Nc1c(C(=O)[O-])cnc2c(C)c(Cl)ccc12.
What is the InChIKey of 7-chloro-8-methyl-4-(2-propoxyanilino)quinoline-3-carboxylate?
The InChIKey is TUZWFIJYZDSCNM-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H19ClN2O3/c1-3-10-26-17-7-5-4-6-16(17)23-19-13-8-9-15(21)12(2)18(13)22-11-14(19)20(24)25/h4-9,11H,3,10H2,1-2H3,(H,22,23)(H,24,25)/p-1.
What are the key properties of 7-chloro-8-methyl-4-(2-propoxyanilino)quinoline-3-carboxylate?
7-chloro-8-methyl-4-(2-propoxyanilino)quinoline-3-carboxylate has a molecular weight of 369.83 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-methyl-4-(2-propoxyanilino)quinoline-3-carboxylate is sourced from PubChem (CID 7137814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).