N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine

C19H19ClN2O4 — CID 53264749

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine
SMILESCOc1cc(Nc2ccnc3cc(OC)c(OC)cc23)c(OC)cc1Cl
InChIInChI=1S/C19H19ClN2O4/c1-23-16-10-15(17(24-2)8-12(16)20)22-13-5-6-21-14-9-19(26-4)18(25-3)7-11(13)14/h5-10H,1-4H3,(H,21,22)
InChIKeyZHXVYVQZHSPLDW-UHFFFAOYSA-N
MW374.82 g/mol
LogP4.67
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine

N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine (PubChem CID 53264749) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine
PubChem CID53264749
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine
SMILESCOc1cc(Nc2ccnc3cc(OC)c(OC)cc23)c(OC)cc1Cl
InChIInChI=1S/C19H19ClN2O4/c1-23-16-10-15(17(24-2)8-12(16)20)22-13-5-6-21-14-9-19(26-4)18(25-3)7-11(13)14/h5-10H,1-4H3,(H,21,22)
InChIKeyZHXVYVQZHSPLDW-UHFFFAOYSA-N
XLogP4.67
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine
CID 24999709
6,7-dimethoxy-N-methylquinolin-4-amine
CID 62190466
1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone
CID 53264744
6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717
N-(1H-indol-4-yl)-6,7-dimethoxyquinolin-4-amine
CID 139921584
N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-4-yloxyquinolin-4-amine
CID 155669681
methane;4,6,7-trimethoxyquinoline
CID 157066291
N-(2,4-dichloro-5-methoxyphenyl)-7-[4-(1-methoxyethoxy)phenyl]quinolin-4-amine
CID 68555862
3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
CID 22646651
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine
CID 22646600
2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol
CID 159856965
N-[5-[tert-butyl(diphenyl)silyl]oxy-4-chloro-2-fluorophenyl]-6-methoxy-7-phenylmethoxyquinolin-4-amine
CID 54345924

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine (CID 53264749) is N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine is COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine?
The InChIKey is ZHXVYVQZHSPLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-23-16-10-15(17(24-2)8-12(16)20)22-13-5-6-21-14-9-19(26-4)18(25-3)7-11(13)14/h5-10H,1-4H3,(H,21,22).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine?
N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine has a molecular weight of 374.82 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine is sourced from PubChem (CID 53264749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).