4-[[2-(3-chlorophenyl)acetyl]amino]-N-methylisoquinoline-6-carboxamide

C19H16ClN3O2 — CID 169408360

IUPAC4-[[2-(3-chlorophenyl)acetyl]amino]-N-methylisoquinoline-6-carboxamide
SMILESCNC(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C19H16ClN3O2/c1-21-19(25)13-5-6-14-10-22-11-17(16(14)9-13)23-18(24)8-12-3-2-4-15(20)7-12/h2-7,9-11H,8H2,1H3,(H,21,25)(H,23,24)
InChIKeyMQGFIRADDQPUFN-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.43
Rot. Bonds4

About 4-[[2-(3-chlorophenyl)acetyl]amino]-N-methylisoquinoline-6-carboxamide

4-[[2-(3-chlorophenyl)acetyl]amino]-N-methylisoquinoline-6-carboxamide (PubChem CID 169408360) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 4-[[2-(3-chlorophenyl)acetyl]amino]-N-methylisoquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[[2-(3-chlorophenyl)acetyl]amino]-N-methylisoquinoline-6-carboxamide
PubChem CID169408360
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name4-[[2-(3-chlorophenyl)acetyl]amino]-N-methylisoquinoline-6-carboxamide
SMILESCNC(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C19H16ClN3O2/c1-21-19(25)13-5-6-14-10-22-11-17(16(14)9-13)23-18(24)8-12-3-2-4-15(20)7-12/h2-7,9-11H,8H2,1H3,(H,21,25)(H,23,24)
InChIKeyMQGFIRADDQPUFN-UHFFFAOYSA-N
XLogP3.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
4-propyl-N-quinolin-3-ylbenzamide
CID 4298023
4-nonyl-N-quinolin-3-ylbenzamide
CID 4375060
4-hexyl-N-quinolin-3-ylbenzamide
CID 44450347
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
CID 11654739
3-amino-2-(3-chlorophenyl)-N-isoquinolin-6-ylpropanamide
CID 127031252
3-chloro-N-[4-[1-[(6-chloro-3-pyridinyl)carbamoyl]cyclobutyl]phenyl]benzamide
CID 138543849
4-[2-(3-Chlorophenyl)acetamido]isoquinoline-6-carboxylic acid
CID 169408355
Dipeptidyl nitrile inhibitor, 16
CID 44224126
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
4-heptyl-N-quinolin-3-ylbenzamide
CID 3884807

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-chlorophenyl)acetyl]amino]-N-methylisoquinoline-6-carboxamide?
The IUPAC name of 4-[[2-(3-chlorophenyl)acetyl]amino]-N-methylisoquinoline-6-carboxamide (CID 169408360) is 4-[[2-(3-chlorophenyl)acetyl]amino]-N-methylisoquinoline-6-carboxamide.
What is the SMILES notation for 4-[[2-(3-chlorophenyl)acetyl]amino]-N-methylisoquinoline-6-carboxamide?
The canonical SMILES for 4-[[2-(3-chlorophenyl)acetyl]amino]-N-methylisoquinoline-6-carboxamide is CNC(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1.
What is the InChIKey of 4-[[2-(3-chlorophenyl)acetyl]amino]-N-methylisoquinoline-6-carboxamide?
The InChIKey is MQGFIRADDQPUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-21-19(25)13-5-6-14-10-22-11-17(16(14)9-13)23-18(24)8-12-3-2-4-15(20)7-12/h2-7,9-11H,8H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 4-[[2-(3-chlorophenyl)acetyl]amino]-N-methylisoquinoline-6-carboxamide?
4-[[2-(3-chlorophenyl)acetyl]amino]-N-methylisoquinoline-6-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-chlorophenyl)acetyl]amino]-N-methylisoquinoline-6-carboxamide is sourced from PubChem (CID 169408360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).