N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide;N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide;N-(2-pyridin-2-ylquinazolin-4-yl)benzamide

C57H42N10O3 — CID 88692628

IUPACN-(3-pyridin-2-ylisoquinolin-1-yl)acetamide;N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide;N-(2-pyridin-2-ylquinazolin-4-yl)benzamide
SMILESCC(=O)Nc1nc(-c2ccccn2)cc2ccccc12.O=C(Nc1nc(-c2ccccn2)cc2ccccc12)c1ccccc1.O=C(Nc1nc(-c2ccccn2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C21H15N3O.C20H14N4O.C16H13N3O/c25-21(15-8-2-1-3-9-15)24-20-17-11-5-4-10-16(17)14-19(23-20)18-12-6-7-13-22-18;25-20(14-8-2-1-3-9-14)24-18-15-10-4-5-11-16(15)22-19(23-18)17-12-6-7-13-21-17;1-11(20)18-16-13-7-3-2-6-12(13)10-15(19-16)14-8-4-5-9-17-14/h1-14H,(H,23,24,25);1-13H,(H,22,23,24,25);2-10H,1H3,(H,18,19,20)
InChIKeyAYZRDJWUVRTDKK-UHFFFAOYSA-N
MW915.03 g/mol
LogP11.75
Rot. Bonds8

About N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide;N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide;N-(2-pyridin-2-ylquinazolin-4-yl)benzamide

N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide;N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide;N-(2-pyridin-2-ylquinazolin-4-yl)benzamide (PubChem CID 88692628) has the molecular formula C57H42N10O3 and a molecular weight of 915.03 g/mol. Its IUPAC name is N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide;N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide;N-(2-pyridin-2-ylquinazolin-4-yl)benzamide.

Molecular Properties

Compound NameN-(3-pyridin-2-ylisoquinolin-1-yl)acetamide;N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide;N-(2-pyridin-2-ylquinazolin-4-yl)benzamide
PubChem CID88692628
Molecular FormulaC57H42N10O3
Molecular Weight915.03 g/mol
Exact Mass914.34
IUPAC NameN-(3-pyridin-2-ylisoquinolin-1-yl)acetamide;N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide;N-(2-pyridin-2-ylquinazolin-4-yl)benzamide
SMILESCC(=O)Nc1nc(-c2ccccn2)cc2ccccc12.O=C(Nc1nc(-c2ccccn2)cc2ccccc12)c1ccccc1.O=C(Nc1nc(-c2ccccn2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C21H15N3O.C20H14N4O.C16H13N3O/c25-21(15-8-2-1-3-9-15)24-20-17-11-5-4-10-16(17)14-19(23-20)18-12-6-7-13-22-18;25-20(14-8-2-1-3-9-14)24-18-15-10-4-5-11-16(15)22-19(23-18)17-12-6-7-13-21-17;1-11(20)18-16-13-7-3-2-6-12(13)10-15(19-16)14-8-4-5-9-17-14/h1-14H,(H,23,24,25);1-13H,(H,22,23,24,25);2-10H,1H3,(H,18,19,20)
InChIKeyAYZRDJWUVRTDKK-UHFFFAOYSA-N
XLogP11.75
TPSA177.53 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.03
LogP ≤ 511.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide;N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide;N-(2-pyridin-2-ylquinazolin-4-yl)benzamide?
The IUPAC name of N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide;N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide;N-(2-pyridin-2-ylquinazolin-4-yl)benzamide (CID 88692628) is N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide;N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide;N-(2-pyridin-2-ylquinazolin-4-yl)benzamide.
What is the SMILES notation for N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide;N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide;N-(2-pyridin-2-ylquinazolin-4-yl)benzamide?
The canonical SMILES for N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide;N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide;N-(2-pyridin-2-ylquinazolin-4-yl)benzamide is CC(=O)Nc1nc(-c2ccccn2)cc2ccccc12.O=C(Nc1nc(-c2ccccn2)cc2ccccc12)c1ccccc1.O=C(Nc1nc(-c2ccccn2)nc2ccccc12)c1ccccc1.
What is the InChIKey of N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide;N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide;N-(2-pyridin-2-ylquinazolin-4-yl)benzamide?
The InChIKey is AYZRDJWUVRTDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O.C20H14N4O.C16H13N3O/c25-21(15-8-2-1-3-9-15)24-20-17-11-5-4-10-16(17)14-19(23-20)18-12-6-7-13-22-18;25-20(14-8-2-1-3-9-14)24-18-15-10-4-5-11-16(15)22-19(23-18)17-12-6-7-13-21-17;1-11(20)18-16-13-7-3-2-6-12(13)10-15(19-16)14-8-4-5-9-17-14/h1-14H,(H,23,24,25);1-13H,(H,22,23,24,25);2-10H,1H3,(H,18,19,20).
What are the key properties of N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide;N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide;N-(2-pyridin-2-ylquinazolin-4-yl)benzamide?
N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide;N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide;N-(2-pyridin-2-ylquinazolin-4-yl)benzamide has a molecular weight of 915.03 g/mol, XLogP of 11.75, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide;N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide;N-(2-pyridin-2-ylquinazolin-4-yl)benzamide is sourced from PubChem (CID 88692628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).