N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide

C22H21N3O2S — CID 110303760

IUPACN-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1ccc2c(c1)CCCN2C(=O)c1cccnc1
InChIInChI=1S/C22H21N3O2S/c26-21(10-8-19-6-3-13-28-19)24-18-7-9-20-16(14-18)5-2-12-25(20)22(27)17-4-1-11-23-15-17/h1,3-4,6-7,9,11,13-15H,2,5,8,10,12H2,(H,24,26)
InChIKeyJPNJJXDBJAGHAU-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.31
Rot. Bonds5

About N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide

N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide (PubChem CID 110303760) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide
PubChem CID110303760
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC NameN-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1ccc2c(c1)CCCN2C(=O)c1cccnc1
InChIInChI=1S/C22H21N3O2S/c26-21(10-8-19-6-3-13-28-19)24-18-7-9-20-16(14-18)5-2-12-25(20)22(27)17-4-1-11-23-15-17/h1,3-4,6-7,9,11,13-15H,2,5,8,10,12H2,(H,24,26)
InChIKeyJPNJJXDBJAGHAU-UHFFFAOYSA-N
XLogP4.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide
CID 110303769
3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110303864
4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 112505958
2-amino-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 119888320
1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737710
3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide
CID 110303754
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
CID 939823
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]acetamide
CID 110623427
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide
CID 119942245
2-amino-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]acetamide
CID 22689805
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 3541809
1-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide
CID 52905682

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide (CID 110303760) is N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)Nc1ccc2c(c1)CCCN2C(=O)c1cccnc1.
What is the InChIKey of N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide?
The InChIKey is JPNJJXDBJAGHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c26-21(10-8-19-6-3-13-28-19)24-18-7-9-20-16(14-18)5-2-12-25(20)22(27)17-4-1-11-23-15-17/h1,3-4,6-7,9,11,13-15H,2,5,8,10,12H2,(H,24,26).
What are the key properties of N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide?
N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide has a molecular weight of 391.50 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110303760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).