N-(4-chloro-3-methoxyphenyl)-6-propan-2-ylsulfonylquinolin-4-amine

C19H19ClN2O3S — CID 54674139

IUPACN-(4-chloro-3-methoxyphenyl)-6-propan-2-ylsulfonylquinolin-4-amine
SMILESCOc1cc(Nc2ccnc3ccc(S(=O)(=O)C(C)C)cc23)ccc1Cl
InChIInChI=1S/C19H19ClN2O3S/c1-12(2)26(23,24)14-5-7-17-15(11-14)18(8-9-21-17)22-13-4-6-16(20)19(10-13)25-3/h4-12H,1-3H3,(H,21,22)
InChIKeyPUYVTGQXTFHSGP-UHFFFAOYSA-N
MW390.89 g/mol
LogP4.82
Rot. Bonds5

About N-(4-chloro-3-methoxyphenyl)-6-propan-2-ylsulfonylquinolin-4-amine

N-(4-chloro-3-methoxyphenyl)-6-propan-2-ylsulfonylquinolin-4-amine (PubChem CID 54674139) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-6-propan-2-ylsulfonylquinolin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-6-propan-2-ylsulfonylquinolin-4-amine
PubChem CID54674139
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC NameN-(4-chloro-3-methoxyphenyl)-6-propan-2-ylsulfonylquinolin-4-amine
SMILESCOc1cc(Nc2ccnc3ccc(S(=O)(=O)C(C)C)cc23)ccc1Cl
InChIInChI=1S/C19H19ClN2O3S/c1-12(2)26(23,24)14-5-7-17-15(11-14)18(8-9-21-17)22-13-4-6-16(20)19(10-13)25-3/h4-12H,1-3H3,(H,21,22)
InChIKeyPUYVTGQXTFHSGP-UHFFFAOYSA-N
XLogP4.82
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine
CID 67465104
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine
CID 24999709
4-[(6-methylsulfonylquinolin-4-yl)amino]phenol
CID 54673836
4-N-(3-chloro-4-fluorophenyl)-7-methoxyquinoline-4,6-diamine
CID 141004590
N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine
CID 53264749
5-(4-chloro-3-methoxyanilino)-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
CID 66926377
4-[(6-chloroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide
CID 17016636
N-(3-fluoro-2H-indazol-6-yl)-6-methylsulfonylquinolin-4-amine
CID 67466931
2-amino-2-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonylacetamide
CID 71269681
N-(4-methoxy-3-methylphenyl)quinolin-4-amine
CID 142581718
4-chloro-3-methoxy-N-(quinolin-4-ylmethyl)aniline
CID 107268053
N-(4-chlorophenyl)-6-methylsulfinylquinolin-4-amine
CID 118352001

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-6-propan-2-ylsulfonylquinolin-4-amine?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-6-propan-2-ylsulfonylquinolin-4-amine (CID 54674139) is N-(4-chloro-3-methoxyphenyl)-6-propan-2-ylsulfonylquinolin-4-amine.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-6-propan-2-ylsulfonylquinolin-4-amine?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-6-propan-2-ylsulfonylquinolin-4-amine is COc1cc(Nc2ccnc3ccc(S(=O)(=O)C(C)C)cc23)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-6-propan-2-ylsulfonylquinolin-4-amine?
The InChIKey is PUYVTGQXTFHSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-12(2)26(23,24)14-5-7-17-15(11-14)18(8-9-21-17)22-13-4-6-16(20)19(10-13)25-3/h4-12H,1-3H3,(H,21,22).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-6-propan-2-ylsulfonylquinolin-4-amine?
N-(4-chloro-3-methoxyphenyl)-6-propan-2-ylsulfonylquinolin-4-amine has a molecular weight of 390.89 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-6-propan-2-ylsulfonylquinolin-4-amine is sourced from PubChem (CID 54674139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).