7-methoxy-4-[4-[1-(sulfamoylamino)ethyl]phenyl]quinoline

C18H19N3O3S — CID 151937578

IUPAC7-methoxy-4-[4-[1-(sulfamoylamino)ethyl]phenyl]quinoline
SMILESCOc1ccc2c(-c3ccc(C(C)NS(N)(=O)=O)cc3)ccnc2c1
InChIInChI=1S/C18H19N3O3S/c1-12(21-25(19,22)23)13-3-5-14(6-4-13)16-9-10-20-18-11-15(24-2)7-8-17(16)18/h3-12,21H,1-2H3,(H2,19,22,23)
InChIKeyTTYWURSVRLCNDS-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.76
Rot. Bonds5

About 7-methoxy-4-[4-[1-(sulfamoylamino)ethyl]phenyl]quinoline

7-methoxy-4-[4-[1-(sulfamoylamino)ethyl]phenyl]quinoline (PubChem CID 151937578) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 7-methoxy-4-[4-[1-(sulfamoylamino)ethyl]phenyl]quinoline.

Molecular Properties

Compound Name7-methoxy-4-[4-[1-(sulfamoylamino)ethyl]phenyl]quinoline
PubChem CID151937578
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name7-methoxy-4-[4-[1-(sulfamoylamino)ethyl]phenyl]quinoline
SMILESCOc1ccc2c(-c3ccc(C(C)NS(N)(=O)=O)cc3)ccnc2c1
InChIInChI=1S/C18H19N3O3S/c1-12(21-25(19,22)23)13-3-5-14(6-4-13)16-9-10-20-18-11-15(24-2)7-8-17(16)18/h3-12,21H,1-2H3,(H2,19,22,23)
InChIKeyTTYWURSVRLCNDS-UHFFFAOYSA-N
XLogP2.76
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-4-[4-[1-(sulfinoamino)ethyl]phenyl]quinoline
CID 155100032
methanesulfonic acid;4-(7-methoxyquinolin-4-yl)-2-methylphenol
CID 170169423
4-[3-methoxy-4-[(sulfamoylamino)methyl]phenyl]-7-(trideuteriomethoxy)quinoline
CID 155099810
[4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate
CID 175036962
bis[4-(7-methoxyquinolin-4-yl)-2-methylphenyl] propanedioate
CID 175394062
1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene
CID 97082572
4,7-dimethoxyquinoline
CID 20743716
imino-[7-(7-methoxyquinolin-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-methyl-oxo-λ6-sulfane
CID 166562020
1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine
CID 168886794
7-methoxy-N-phenylquinoline-4-sulfonamide
CID 69089978
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
(2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol
CID 168886703

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[4-[1-(sulfamoylamino)ethyl]phenyl]quinoline?
The IUPAC name of 7-methoxy-4-[4-[1-(sulfamoylamino)ethyl]phenyl]quinoline (CID 151937578) is 7-methoxy-4-[4-[1-(sulfamoylamino)ethyl]phenyl]quinoline.
What is the SMILES notation for 7-methoxy-4-[4-[1-(sulfamoylamino)ethyl]phenyl]quinoline?
The canonical SMILES for 7-methoxy-4-[4-[1-(sulfamoylamino)ethyl]phenyl]quinoline is COc1ccc2c(-c3ccc(C(C)NS(N)(=O)=O)cc3)ccnc2c1.
What is the InChIKey of 7-methoxy-4-[4-[1-(sulfamoylamino)ethyl]phenyl]quinoline?
The InChIKey is TTYWURSVRLCNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12(21-25(19,22)23)13-3-5-14(6-4-13)16-9-10-20-18-11-15(24-2)7-8-17(16)18/h3-12,21H,1-2H3,(H2,19,22,23).
What are the key properties of 7-methoxy-4-[4-[1-(sulfamoylamino)ethyl]phenyl]quinoline?
7-methoxy-4-[4-[1-(sulfamoylamino)ethyl]phenyl]quinoline has a molecular weight of 357.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[4-[1-(sulfamoylamino)ethyl]phenyl]quinoline is sourced from PubChem (CID 151937578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).