7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine

C30H27N3O3S — CID 164620647

IUPAC7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine
SMILESCC(C)Oc1ccc(-c2cc(Nc3ccnc4cc(-c5ccc(S(C)(=O)=O)cc5)ccc34)ccn2)cc1
InChIInChI=1S/C30H27N3O3S/c1-20(2)36-25-9-4-22(5-10-25)29-19-24(14-16-31-29)33-28-15-17-32-30-18-23(8-13-27(28)30)21-6-11-26(12-7-21)37(3,34)35/h4-20H,1-3H3,(H,31,32,33)
InChIKeyCDPNFJNZLHNIHC-UHFFFAOYSA-N
MW509.63 g/mol
LogP6.90
Rot. Bonds7

About 7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine

7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine (PubChem CID 164620647) has the molecular formula C30H27N3O3S and a molecular weight of 509.63 g/mol. Its IUPAC name is 7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine.

Molecular Properties

Compound Name7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine
PubChem CID164620647
Molecular FormulaC30H27N3O3S
Molecular Weight509.63 g/mol
Exact Mass509.18
IUPAC Name7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine
SMILESCC(C)Oc1ccc(-c2cc(Nc3ccnc4cc(-c5ccc(S(C)(=O)=O)cc5)ccc34)ccn2)cc1
InChIInChI=1S/C30H27N3O3S/c1-20(2)36-25-9-4-22(5-10-25)29-19-24(14-16-31-29)33-28-15-17-32-30-18-23(8-13-27(28)30)21-6-11-26(12-7-21)37(3,34)35/h4-20H,1-3H3,(H,31,32,33)
InChIKeyCDPNFJNZLHNIHC-UHFFFAOYSA-N
XLogP6.90
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.63
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
CID 164611784
N-[2-(3-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
CID 164626479
N-ethyl-2-(4-propan-2-yloxyphenyl)pyridin-4-amine
CID 102824750
N-(3-fluoro-2H-indazol-6-yl)-6-methylsulfonylquinolin-4-amine
CID 67466931
N-(2,4-dichloro-5-methoxyphenyl)-7-[4-(1-methoxyethoxy)phenyl]quinolin-4-amine
CID 68555862
4-[(6-methylsulfonylquinolin-4-yl)amino]phenol
CID 54673836
N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine
CID 67465104
N-(4-chloro-3-methoxyphenyl)-6-propan-2-ylsulfonylquinolin-4-amine
CID 54674139
N-[4-[6-amino-4-(4-methoxyphenyl)-2-pyridinyl]phenyl]-7-chloroquinolin-4-amine
CID 10766086
2-(4-propan-2-yloxyphenyl)pyridine-4-carbonitrile
CID 117001819
N-(3,4-dimethoxyphenyl)-7-pyridin-2-ylquinolin-4-amine;hydrochloride
CID 44532214
3-[(7-pyridin-4-ylquinolin-4-yl)amino]phenol
CID 44532315

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine?
The IUPAC name of 7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine (CID 164620647) is 7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine.
What is the SMILES notation for 7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine?
The canonical SMILES for 7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine is CC(C)Oc1ccc(-c2cc(Nc3ccnc4cc(-c5ccc(S(C)(=O)=O)cc5)ccc34)ccn2)cc1.
What is the InChIKey of 7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine?
The InChIKey is CDPNFJNZLHNIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O3S/c1-20(2)36-25-9-4-22(5-10-25)29-19-24(14-16-31-29)33-28-15-17-32-30-18-23(8-13-27(28)30)21-6-11-26(12-7-21)37(3,34)35/h4-20H,1-3H3,(H,31,32,33).
What are the key properties of 7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine?
7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine has a molecular weight of 509.63 g/mol, XLogP of 6.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine is sourced from PubChem (CID 164620647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).