6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-4-carboxamide

C19H13ClFN3O2 — CID 169423089

IUPAC6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-4-carboxamide
SMILESO=C1NCC(C(=O)Nc2cncc3cc(F)ccc23)c2cc(Cl)ccc21
InChIInChI=1S/C19H13ClFN3O2/c20-11-1-3-14-15(6-11)16(8-23-18(14)25)19(26)24-17-9-22-7-10-5-12(21)2-4-13(10)17/h1-7,9,16H,8H2,(H,23,25)(H,24,26)
InChIKeyFIGWKXCUEZLEJL-UHFFFAOYSA-N
MW369.78 g/mol
LogP3.49
Rot. Bonds2

About 6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-4-carboxamide

6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-4-carboxamide (PubChem CID 169423089) has the molecular formula C19H13ClFN3O2 and a molecular weight of 369.78 g/mol. Its IUPAC name is 6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-4-carboxamide
PubChem CID169423089
Molecular FormulaC19H13ClFN3O2
Molecular Weight369.78 g/mol
Exact Mass369.07
IUPAC Name6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-4-carboxamide
SMILESO=C1NCC(C(=O)Nc2cncc3cc(F)ccc23)c2cc(Cl)ccc21
InChIInChI=1S/C19H13ClFN3O2/c20-11-1-3-14-15(6-11)16(8-23-18(14)25)19(26)24-17-9-22-7-10-5-12(21)2-4-13(10)17/h1-7,9,16H,8H2,(H,23,25)(H,24,26)
InChIKeyFIGWKXCUEZLEJL-UHFFFAOYSA-N
XLogP3.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.78
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-4-carboxamide with MolForge

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Related Compounds

4-Chloro-N-((R)-1-(cis-4-(6-fluoroquinolin-4-yl)cyclohexyl)ethyl)benzamide
CID 121318866
N-(4-chlorophenyl)-5,5-difluoro-1-[3-fluoro-5-(pyridin-4-yl)benzoyl]piperidine-3-carboxamide
CID 121317995
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide
CID 6473490
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
CID 11654739
3-amino-2-(4-chlorophenyl)-N-isoquinolin-6-ylpropanamide
CID 86270887
3-amino-2-(3-chlorophenyl)-N-isoquinolin-6-ylpropanamide
CID 127031252
2-(3-chloro-4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide
CID 156906712
(4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 169408354
2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1223053
N-((R)-3-(4-chlorophenyl)-1-(4-(2-(diethylamino)-1-(2-fluorophenyl)ethyl)piperazin-1-yl)-1-oxopropan-2-yl)isoquinoline-3-carboxamide
CID 10304463
Naphthalene-1-carboxylic acid {(S)-2-(4-chloro-phenyl)-1-[(S)-1-(pyridin-3-ylcarbamoyl)-ethylcarbamoyl]-ethyl}-amide
CID 44281668
4-chloro-2-methyl-N-pyridin-3-ylbenzamide
CID 70845724

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-4-carboxamide (CID 169423089) is 6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-4-carboxamide is O=C1NCC(C(=O)Nc2cncc3cc(F)ccc23)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-4-carboxamide?
The InChIKey is FIGWKXCUEZLEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O2/c20-11-1-3-14-15(6-11)16(8-23-18(14)25)19(26)24-17-9-22-7-10-5-12(21)2-4-13(10)17/h1-7,9,16H,8H2,(H,23,25)(H,24,26).
What are the key properties of 6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-4-carboxamide?
6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-4-carboxamide has a molecular weight of 369.78 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-4-carboxamide is sourced from PubChem (CID 169423089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).