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

C21H23ClN2O3 — CID 18590567

IUPACpropyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride
SMILESCCCOC(=O)c1ccc(Nc2cc(C)nc3ccc(OC)cc23)cc1.Cl
InChIInChI=1S/C21H22N2O3.ClH/c1-4-11-26-21(24)15-5-7-16(8-6-15)23-20-12-14(2)22-19-10-9-17(25-3)13-18(19)20;/h5-10,12-13H,4,11H2,1-3H3,(H,22,23);1H
InChIKeySJTMACLMHPRLDV-UHFFFAOYSA-N
MW386.88 g/mol
LogP5.28
Rot. Bonds6

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

propyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride (PubChem CID 18590567) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is propyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride.

Molecular Properties

Compound Namepropyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride
PubChem CID18590567
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Namepropyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride
SMILESCCCOC(=O)c1ccc(Nc2cc(C)nc3ccc(OC)cc23)cc1.Cl
InChIInChI=1S/C21H22N2O3.ClH/c1-4-11-26-21(24)15-5-7-16(8-6-15)23-20-12-14(2)22-19-10-9-17(25-3)13-18(19)20;/h5-10,12-13H,4,11H2,1-3H3,(H,22,23);1H
InChIKeySJTMACLMHPRLDV-UHFFFAOYSA-N
XLogP5.28
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.88
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate
CID 3687425
ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2919127
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588
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
4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide
CID 176515048
methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate
CID 696493
methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate
CID 730949
ethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate
CID 53002745
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2917853
methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2790970

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride?
The IUPAC name of propyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride (CID 18590567) is propyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride.
What is the SMILES notation for propyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride?
The canonical SMILES for propyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride is CCCOC(=O)c1ccc(Nc2cc(C)nc3ccc(OC)cc23)cc1.Cl.
What is the InChIKey of propyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride?
The InChIKey is SJTMACLMHPRLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3.ClH/c1-4-11-26-21(24)15-5-7-16(8-6-15)23-20-12-14(2)22-19-10-9-17(25-3)13-18(19)20;/h5-10,12-13H,4,11H2,1-3H3,(H,22,23);1H.
What are the key properties of propyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride?
propyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride is sourced from PubChem (CID 18590567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).