4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate

C18H15N2O3- — CID 3687425

IUPAC4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate
SMILESCOc1ccc2nc(C)cc(Nc3ccc(C(=O)[O-])cc3)c2c1
InChIInChI=1S/C18H16N2O3/c1-11-9-17(15-10-14(23-2)7-8-16(15)19-11)20-13-5-3-12(4-6-13)18(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)/p-1
InChIKeyKZDORVYRVHBBOW-UHFFFAOYSA-M
MW307.33 g/mol
LogP2.66
Rot. Bonds4

About 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate

4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate (PubChem CID 3687425) has the molecular formula C18H15N2O3- and a molecular weight of 307.33 g/mol. Its IUPAC name is 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate.

Molecular Properties

Compound Name4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate
PubChem CID3687425
Molecular FormulaC18H15N2O3-
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate
SMILESCOc1ccc2nc(C)cc(Nc3ccc(C(=O)[O-])cc3)c2c1
InChIInChI=1S/C18H16N2O3/c1-11-9-17(15-10-14(23-2)7-8-16(15)19-11)20-13-5-3-12(4-6-13)18(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)/p-1
InChIKeyKZDORVYRVHBBOW-UHFFFAOYSA-M
XLogP2.66
TPSA74.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride
CID 18590567
N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 798853
6-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)quinolin-4-amine
CID 110435675
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588
methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate
CID 730949
N-(3-chlorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 692374
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide
CID 176515048
methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate
CID 696493
N-(3-chloro-4-methoxyphenyl)-6-methoxy-2-methylquinolin-4-amine
CID 798244
N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 110435673
4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 16876467

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate?
The IUPAC name of 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate (CID 3687425) is 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate.
What is the SMILES notation for 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate?
The canonical SMILES for 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate is COc1ccc2nc(C)cc(Nc3ccc(C(=O)[O-])cc3)c2c1.
What is the InChIKey of 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate?
The InChIKey is KZDORVYRVHBBOW-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H16N2O3/c1-11-9-17(15-10-14(23-2)7-8-16(15)19-11)20-13-5-3-12(4-6-13)18(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)/p-1.
What are the key properties of 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate?
4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate has a molecular weight of 307.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate is sourced from PubChem (CID 3687425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).