N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)formamide

C11H14N2O3S — CID 168653982

IUPACN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)formamide
SMILESCS(=O)(=O)N1CCCc2ccc(NC=O)cc21
InChIInChI=1S/C11H14N2O3S/c1-17(15,16)13-6-2-3-9-4-5-10(12-8-14)7-11(9)13/h4-5,7-8H,2-3,6H2,1H3,(H,12,14)
InChIKeyPGILMHOWGMOYHJ-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.97
Rot. Bonds3

About N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)formamide

N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)formamide (PubChem CID 168653982) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)formamide.

Molecular Properties

Compound NameN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)formamide
PubChem CID168653982
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)formamide
SMILESCS(=O)(=O)N1CCCc2ccc(NC=O)cc21
InChIInChI=1S/C11H14N2O3S/c1-17(15,16)13-6-2-3-9-4-5-10(12-8-14)7-11(9)13/h4-5,7-8H,2-3,6H2,1H3,(H,12,14)
InChIKeyPGILMHOWGMOYHJ-UHFFFAOYSA-N
XLogP0.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7517975
N-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 110622796
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 7517962
1-chloro-3-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)amino]propan-2-ol
CID 168637976
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
CID 7517976
2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 7517968
1-methylsulfonyl-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
CID 110359639
2-cyclopropyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 110622787
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide
CID 7517878
N-(3-hydroxypropyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 7688066
N-[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]formamide
CID 168651977

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)formamide?
The IUPAC name of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)formamide (CID 168653982) is N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)formamide.
What is the SMILES notation for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)formamide?
The canonical SMILES for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)formamide is CS(=O)(=O)N1CCCc2ccc(NC=O)cc21.
What is the InChIKey of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)formamide?
The InChIKey is PGILMHOWGMOYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-17(15,16)13-6-2-3-9-4-5-10(12-8-14)7-11(9)13/h4-5,7-8H,2-3,6H2,1H3,(H,12,14).
What are the key properties of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)formamide?
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)formamide has a molecular weight of 254.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)formamide is sourced from PubChem (CID 168653982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).