2-(2-amino-2-oxoethyl)-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide

C21H19ClN4O2 — CID 156906309

IUPAC2-(2-amino-2-oxoethyl)-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide
SMILESNC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1
InChIInChI=1S/C21H19ClN4O2/c22-15-6-5-14-10-26(12-20(23)27)11-18(17(14)7-15)21(28)25-19-9-24-8-13-3-1-2-4-16(13)19/h1-9,18H,10-12H2,(H2,23,27)(H,25,28)
InChIKeyIDQZBINPDWFWFE-UHFFFAOYSA-N
MW394.86 g/mol
LogP2.91
Rot. Bonds4

About 2-(2-amino-2-oxoethyl)-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide

2-(2-amino-2-oxoethyl)-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide (PubChem CID 156906309) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide
PubChem CID156906309
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name2-(2-amino-2-oxoethyl)-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide
SMILESNC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1
InChIInChI=1S/C21H19ClN4O2/c22-15-6-5-14-10-26(12-20(23)27)11-18(17(14)7-15)21(28)25-19-9-24-8-13-3-1-2-4-16(13)19/h1-9,18H,10-12H2,(H2,23,27)(H,25,28)
InChIKeyIDQZBINPDWFWFE-UHFFFAOYSA-N
XLogP2.91
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-amino-2-oxoethyl)-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide with MolForge

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Related Compounds

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
3-amino-2-(2,4-dichlorophenyl)-N-isoquinolin-6-ylpropanamide
CID 127031535
MAT-POS-e194df51-1
CID 156906151
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
3-amino-N-[3-chloro-4-(1-oxo-3,4-dihydroisoquinolin-2-yl)phenyl]pyridine-2-carboxamide
CID 127047065
1-[4-(6-Amino-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone
CID 10694627
1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [(R)-1-(4-chloro-benzyl)-2-(4-{2-[(methyl-pyridin-3-ylmethyl-amino)-methyl]-phenyl}-piperazin-1-yl)-2-oxo-ethyl]-amide
CID 11308184
Naphthalene-1-carboxylic acid {(S)-2-(4-chloro-phenyl)-1-[(S)-1-(pyridin-3-ylcarbamoyl)-ethylcarbamoyl]-ethyl}-amide
CID 44281668
Isoquinoline-1-carboxylic acid [1''-(3,4-dichloro-benzyl)-[1,4'']bipiperidinyl-3-ylmethyl]-amide
CID 44399272

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide (CID 156906309) is 2-(2-amino-2-oxoethyl)-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide is NC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1.
What is the InChIKey of 2-(2-amino-2-oxoethyl)-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide?
The InChIKey is IDQZBINPDWFWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c22-15-6-5-14-10-26(12-20(23)27)11-18(17(14)7-15)21(28)25-19-9-24-8-13-3-1-2-4-16(13)19/h1-9,18H,10-12H2,(H2,23,27)(H,25,28).
What are the key properties of 2-(2-amino-2-oxoethyl)-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide?
2-(2-amino-2-oxoethyl)-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide is sourced from PubChem (CID 156906309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).