2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-naphthalen-1-ylpropanamide

C22H18ClN3O2 — CID 68875523

IUPAC2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-naphthalen-1-ylpropanamide
SMILESNC(Cc1cccc2ccccc12)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
InChIInChI=1S/C22H18ClN3O2/c23-18-12-17-15(8-9-25-21(17)27)11-20(18)26-22(28)19(24)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,11-12,19H,10,24H2,(H,25,27)(H,26,28)
InChIKeyBRUWZKPRMONCGZ-UHFFFAOYSA-N
MW391.86 g/mol
LogP3.84
Rot. Bonds4

About 2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-naphthalen-1-ylpropanamide

2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-naphthalen-1-ylpropanamide (PubChem CID 68875523) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is 2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-naphthalen-1-ylpropanamide
PubChem CID68875523
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC Name2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-naphthalen-1-ylpropanamide
SMILESNC(Cc1cccc2ccccc12)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
InChIInChI=1S/C22H18ClN3O2/c23-18-12-17-15(8-9-25-21(17)27)11-20(18)26-22(28)19(24)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,11-12,19H,10,24H2,(H,25,27)(H,26,28)
InChIKeyBRUWZKPRMONCGZ-UHFFFAOYSA-N
XLogP3.84
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-naphthalen-1-ylpropanamide with MolForge

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Related Compounds

2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)propanamide;benzene
CID 143649167
2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-cyclohexylpropanamide
CID 68873926
3-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)amino]-3-oxo-2-phenylpropanoic acid
CID 59756559
N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(methylamino)propanamide
CID 138521251
N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenyl-2-propan-2-yloxyacetamide
CID 68874486
N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-(cyclopropylmethylamino)-2-phenylacetamide
CID 59756556
2-(benzylamino)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)acetamide
CID 46890138
(3R)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-methylpentanamide
CID 143649216
N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperazine-2-carboxamide
CID 59756671
(3S)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperidine-3-carboxamide
CID 59756651
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
(2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide
CID 22691619

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-naphthalen-1-ylpropanamide?
The IUPAC name of 2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-naphthalen-1-ylpropanamide (CID 68875523) is 2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-naphthalen-1-ylpropanamide.
What is the SMILES notation for 2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-naphthalen-1-ylpropanamide?
The canonical SMILES for 2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-naphthalen-1-ylpropanamide is NC(Cc1cccc2ccccc12)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl.
What is the InChIKey of 2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-naphthalen-1-ylpropanamide?
The InChIKey is BRUWZKPRMONCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c23-18-12-17-15(8-9-25-21(17)27)11-20(18)26-22(28)19(24)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,11-12,19H,10,24H2,(H,25,27)(H,26,28).
What are the key properties of 2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-naphthalen-1-ylpropanamide?
2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-naphthalen-1-ylpropanamide has a molecular weight of 391.86 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-naphthalen-1-ylpropanamide is sourced from PubChem (CID 68875523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).