5-chloro-2-[(7-methoxy-3-pyridin-3-ylisoquinolin-1-yl)amino]benzamide

C22H17ClN4O2 — CID 144500470

IUPAC5-chloro-2-[(7-methoxy-3-pyridin-3-ylisoquinolin-1-yl)amino]benzamide
SMILESCOc1ccc2cc(-c3cccnc3)nc(Nc3ccc(Cl)cc3C(N)=O)c2c1
InChIInChI=1S/C22H17ClN4O2/c1-29-16-6-4-13-9-20(14-3-2-8-25-12-14)27-22(17(13)11-16)26-19-7-5-15(23)10-18(19)21(24)28/h2-12H,1H3,(H2,24,28)(H,26,27)
InChIKeyHRYCWKVTMYWOMI-UHFFFAOYSA-N
MW404.86 g/mol
LogP4.80
Rot. Bonds5

About 5-chloro-2-[(7-methoxy-3-pyridin-3-ylisoquinolin-1-yl)amino]benzamide

5-chloro-2-[(7-methoxy-3-pyridin-3-ylisoquinolin-1-yl)amino]benzamide (PubChem CID 144500470) has the molecular formula C22H17ClN4O2 and a molecular weight of 404.86 g/mol. Its IUPAC name is 5-chloro-2-[(7-methoxy-3-pyridin-3-ylisoquinolin-1-yl)amino]benzamide.

Molecular Properties

Compound Name5-chloro-2-[(7-methoxy-3-pyridin-3-ylisoquinolin-1-yl)amino]benzamide
PubChem CID144500470
Molecular FormulaC22H17ClN4O2
Molecular Weight404.86 g/mol
Exact Mass404.10
IUPAC Name5-chloro-2-[(7-methoxy-3-pyridin-3-ylisoquinolin-1-yl)amino]benzamide
SMILESCOc1ccc2cc(-c3cccnc3)nc(Nc3ccc(Cl)cc3C(N)=O)c2c1
InChIInChI=1S/C22H17ClN4O2/c1-29-16-6-4-13-9-20(14-3-2-8-25-12-14)27-22(17(13)11-16)26-19-7-5-15(23)10-18(19)21(24)28/h2-12H,1H3,(H2,24,28)(H,26,27)
InChIKeyHRYCWKVTMYWOMI-UHFFFAOYSA-N
XLogP4.80
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-[(7-methoxy-3-pyridin-3-ylisoquinolin-1-yl)amino]benzamide with MolForge

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Related Compounds

2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide
CID 144501294
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide
CID 71180912
N-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 135127846
2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 67298170
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-prop-2-ynylbenzamide
CID 89347943
2-[(6-methoxy-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide
CID 71274504
4-(4-chloro-2-methylanilino)-6-methoxyquinoline-3-carboxamide
CID 22170322
N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 67298112
2-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]benzamide
CID 53303494
2-[(8-methoxy-6-methyl-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 144501322
N-(2,6-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274367
2-chloro-N-methylacetamide;2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide;2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 159635907

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(7-methoxy-3-pyridin-3-ylisoquinolin-1-yl)amino]benzamide?
The IUPAC name of 5-chloro-2-[(7-methoxy-3-pyridin-3-ylisoquinolin-1-yl)amino]benzamide (CID 144500470) is 5-chloro-2-[(7-methoxy-3-pyridin-3-ylisoquinolin-1-yl)amino]benzamide.
What is the SMILES notation for 5-chloro-2-[(7-methoxy-3-pyridin-3-ylisoquinolin-1-yl)amino]benzamide?
The canonical SMILES for 5-chloro-2-[(7-methoxy-3-pyridin-3-ylisoquinolin-1-yl)amino]benzamide is COc1ccc2cc(-c3cccnc3)nc(Nc3ccc(Cl)cc3C(N)=O)c2c1.
What is the InChIKey of 5-chloro-2-[(7-methoxy-3-pyridin-3-ylisoquinolin-1-yl)amino]benzamide?
The InChIKey is HRYCWKVTMYWOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2/c1-29-16-6-4-13-9-20(14-3-2-8-25-12-14)27-22(17(13)11-16)26-19-7-5-15(23)10-18(19)21(24)28/h2-12H,1H3,(H2,24,28)(H,26,27).
What are the key properties of 5-chloro-2-[(7-methoxy-3-pyridin-3-ylisoquinolin-1-yl)amino]benzamide?
5-chloro-2-[(7-methoxy-3-pyridin-3-ylisoquinolin-1-yl)amino]benzamide has a molecular weight of 404.86 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(7-methoxy-3-pyridin-3-ylisoquinolin-1-yl)amino]benzamide is sourced from PubChem (CID 144500470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).