2-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carboxamide

C19H23N3O4S — CID 71806514

IUPAC2-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)CC
InChIInChI=1S/C19H23N3O4S/c1-3-26-19-16(8-5-11-20-19)18(23)21-15-9-10-17-14(13-15)7-6-12-22(17)27(24,25)4-2/h5,8-11,13H,3-4,6-7,12H2,1-2H3,(H,21,23)
InChIKeyMKDXVVNOKUSKIQ-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.83
Rot. Bonds6

About 2-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carboxamide

2-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carboxamide (PubChem CID 71806514) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carboxamide
PubChem CID71806514
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)CC
InChIInChI=1S/C19H23N3O4S/c1-3-26-19-16(8-5-11-20-19)18(23)21-15-9-10-17-14(13-15)7-6-12-22(17)27(24,25)4-2/h5,8-11,13H,3-4,6-7,12H2,1-2H3,(H,21,23)
InChIKeyMKDXVVNOKUSKIQ-UHFFFAOYSA-N
XLogP2.83
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carboxamide (CID 71806514) is 2-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)CC.
What is the InChIKey of 2-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carboxamide?
The InChIKey is MKDXVVNOKUSKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-3-26-19-16(8-5-11-20-19)18(23)21-15-9-10-17-14(13-15)7-6-12-22(17)27(24,25)4-2/h5,8-11,13H,3-4,6-7,12H2,1-2H3,(H,21,23).
What are the key properties of 2-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carboxamide?
2-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 71806514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).