N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide

C15H14ClN3O — CID 103094226

IUPACN-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESO=C(Nc1ncccc1Cl)c1cccc2c1CCCN2
InChIInChI=1S/C15H14ClN3O/c16-12-6-3-9-18-14(12)19-15(20)11-4-1-7-13-10(11)5-2-8-17-13/h1,3-4,6-7,9,17H,2,5,8H2,(H,18,19,20)
InChIKeyBZISUBKLFSQBFV-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.35
Rot. Bonds2

About N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide

N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 103094226) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID103094226
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC NameN-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESO=C(Nc1ncccc1Cl)c1cccc2c1CCCN2
InChIInChI=1S/C15H14ClN3O/c16-12-6-3-9-18-14(12)19-15(20)11-4-1-7-13-10(11)5-2-8-17-13/h1,3-4,6-7,9,17H,2,5,8H2,(H,18,19,20)
InChIKeyBZISUBKLFSQBFV-UHFFFAOYSA-N
XLogP3.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850225
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103943460
2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610346
N-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide
CID 103943532
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 107852782
2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydroquinolin-5-yl)benzamide
CID 106500914
3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide
CID 106547626
N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 103893036
cyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 116610491
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 104954686
N-(3-chloro-2-pyridinyl)-2-(ethylamino)benzamide
CID 103094805

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 103094226) is N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide is O=C(Nc1ncccc1Cl)c1cccc2c1CCCN2.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is BZISUBKLFSQBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-12-6-3-9-18-14(12)19-15(20)11-4-1-7-13-10(11)5-2-8-17-13/h1,3-4,6-7,9,17H,2,5,8H2,(H,18,19,20).
What are the key properties of N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 287.75 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 103094226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).