N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-methoxy-N-methylbenzenesulfonamide

C20H22ClN3O3S — CID 42743701

IUPACN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CCCNc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C20H22ClN3O3S/c1-24(28(25,26)17-7-5-16(27-2)6-8-17)13-3-11-22-19-10-12-23-20-14-15(21)4-9-18(19)20/h4-10,12,14H,3,11,13H2,1-2H3,(H,22,23)
InChIKeyCDPRACVARKYJSH-UHFFFAOYSA-N
MW419.93 g/mol
LogP4.02
Rot. Bonds8

About N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-methoxy-N-methylbenzenesulfonamide

N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 42743701) has the molecular formula C20H22ClN3O3S and a molecular weight of 419.93 g/mol. Its IUPAC name is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-methoxy-N-methylbenzenesulfonamide
PubChem CID42743701
Molecular FormulaC20H22ClN3O3S
Molecular Weight419.93 g/mol
Exact Mass419.11
IUPAC NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CCCNc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C20H22ClN3O3S/c1-24(28(25,26)17-7-5-16(27-2)6-8-17)13-3-11-22-19-10-12-23-20-14-15(21)4-9-18(19)20/h4-10,12,14H,3,11,13H2,1-2H3,(H,22,23)
InChIKeyCDPRACVARKYJSH-UHFFFAOYSA-N
XLogP4.02
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-methoxy-N-methylbenzenesulfonamide with MolForge

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Related Compounds

7-chloro-N-(4-ethoxyphenyl)-4-quinolinamine
CID 711950
7-Chloro-4-(2-(4-(3-piperidinopropoxy)phenyl)ethylamino)quinoline
CID 10873565
7-Chloro-4-(4-(3-piperidinopropoxy)phenylamino)quinoline
CID 10916261
N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 67341609
6-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173772
US9663498, Example 31
CID 118181414
6-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-1H-indole
CID 118181460
7-(4-Chlorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine
CID 66757616
7-chloro-N-[[2-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]phenyl]methyl]quinolin-4-amine
CID 44819805
7-chloro-N-[[3-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]phenyl]methyl]quinolin-4-amine
CID 44819806
N-[5-(5-chloro-3-methylindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71457264
N-[5-(6-chloro-3-methylindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71457265

Frequently Asked Questions

What is the IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-methoxy-N-methylbenzenesulfonamide (CID 42743701) is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)CCCNc2ccnc3cc(Cl)ccc23)cc1.
What is the InChIKey of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is CDPRACVARKYJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3S/c1-24(28(25,26)17-7-5-16(27-2)6-8-17)13-3-11-22-19-10-12-23-20-14-15(21)4-9-18(19)20/h4-10,12,14H,3,11,13H2,1-2H3,(H,22,23).
What are the key properties of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-methoxy-N-methylbenzenesulfonamide?
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 419.93 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 42743701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).