N-butan-2-yl-N-butyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

C19H30N2O3S — CID 78858403

IUPACN-butan-2-yl-N-butyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCCCCN(C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)C(C)CC
InChIInChI=1S/C19H30N2O3S/c1-5-7-12-20(15(3)6-2)19(22)17-10-11-18-16(14-17)9-8-13-21(18)25(4,23)24/h10-11,14-15H,5-9,12-13H2,1-4H3
InChIKeyHJCHJODOCBQIGY-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.44
Rot. Bonds7

About N-butan-2-yl-N-butyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

N-butan-2-yl-N-butyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 78858403) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID78858403
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-butan-2-yl-N-butyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCCCCN(C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)C(C)CC
InChIInChI=1S/C19H30N2O3S/c1-5-7-12-20(15(3)6-2)19(22)17-10-11-18-16(14-17)9-8-13-21(18)25(4,23)24/h10-11,14-15H,5-9,12-13H2,1-4H3
InChIKeyHJCHJODOCBQIGY-UHFFFAOYSA-N
XLogP3.44
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-butan-2-yl-N-butyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 78858403) is N-butan-2-yl-N-butyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-butan-2-yl-N-butyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is CCCCN(C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is HJCHJODOCBQIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-5-7-12-20(15(3)6-2)19(22)17-10-11-18-16(14-17)9-8-13-21(18)25(4,23)24/h10-11,14-15H,5-9,12-13H2,1-4H3.
What are the key properties of N-butan-2-yl-N-butyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
N-butan-2-yl-N-butyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 366.53 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 78858403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).