7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine

C14H17ClN2O2S — CID 133365714

IUPAC7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine
SMILESCC(CCS(C)(=O)=O)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C14H17ClN2O2S/c1-10(6-8-20(2,18)19)17-13-5-7-16-14-9-11(15)3-4-12(13)14/h3-5,7,9-10H,6,8H2,1-2H3,(H,16,17)
InChIKeyBBUAEGFKCILPPM-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.12
Rot. Bonds5

About 7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine

7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine (PubChem CID 133365714) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine
PubChem CID133365714
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine
SMILESCC(CCS(C)(=O)=O)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C14H17ClN2O2S/c1-10(6-8-20(2,18)19)17-13-5-7-16-14-9-11(15)3-4-12(13)14/h3-5,7,9-10H,6,8H2,1-2H3,(H,16,17)
InChIKeyBBUAEGFKCILPPM-UHFFFAOYSA-N
XLogP3.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-4-bromobutan-2-yl]-7-chloroquinolin-4-amine
CID 129361750
O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine
CID 129361753
7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
CID 115637682
3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
CID 10267118
7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
N-[4-[(7-chloroquinolin-4-yl)amino]pentyl]-2-hydroxyacetamide
CID 46781267
(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 11666461
7-chloro-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
CID 63541053
7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine
CID 113484977
4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine
CID 178050529
butanedioic acid;4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 69171566
1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine
CID 153353135

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine?
The IUPAC name of 7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine (CID 133365714) is 7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine?
The canonical SMILES for 7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine is CC(CCS(C)(=O)=O)Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine?
The InChIKey is BBUAEGFKCILPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c1-10(6-8-20(2,18)19)17-13-5-7-16-14-9-11(15)3-4-12(13)14/h3-5,7,9-10H,6,8H2,1-2H3,(H,16,17).
What are the key properties of 7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine?
7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine has a molecular weight of 312.82 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine is sourced from PubChem (CID 133365714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).