N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

C14H18ClN3O2S — CID 63859181

IUPACN-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1ccnc2cc(Cl)ccc12)NS(C)(=O)=O
InChIInChI=1S/C14H18ClN3O2S/c1-14(2,18-21(3,19)20)9-17-12-6-7-16-13-8-10(15)4-5-11(12)13/h4-8,18H,9H2,1-3H3,(H,16,17)
InChIKeyWMZMPPNCWFVHBI-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.63
Rot. Bonds5

About N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63859181) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63859181
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC NameN-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1ccnc2cc(Cl)ccc12)NS(C)(=O)=O
InChIInChI=1S/C14H18ClN3O2S/c1-14(2,18-21(3,19)20)9-17-12-6-7-16-13-8-10(15)4-5-11(12)13/h4-8,18H,9H2,1-3H3,(H,16,17)
InChIKeyWMZMPPNCWFVHBI-UHFFFAOYSA-N
XLogP2.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307879
1-N-(7-chloroquinolin-4-yl)-2-N-[(3,5-dichlorophenyl)methyl]-2-methylpropane-1,2-diamine;dihydrochloride
CID 70204147
2-N-benzyl-1-N-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine
CID 11681637
3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol
CID 62060056
N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 11644996
2-[[(7-chloroquinolin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430042
7-chloro-N-(4-methoxy-2,2-dimethylbutyl)quinolin-4-amine
CID 104624105
7-chloro-N-(1-chloro-2-methylpropan-2-yl)quinolin-4-amine
CID 65027745
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907

Frequently Asked Questions

What is the IUPAC name of N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 63859181) is N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNc1ccnc2cc(Cl)ccc12)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is WMZMPPNCWFVHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-14(2,18-21(3,19)20)9-17-12-6-7-16-13-8-10(15)4-5-11(12)13/h4-8,18H,9H2,1-3H3,(H,16,17).
What are the key properties of N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 327.84 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63859181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).