N-cyclopropyl-4-methyl-3-(1-oxo-2H-isoquinolin-7-yl)benzamide

C20H18N2O2 — CID 44580582

IUPACN-cyclopropyl-4-methyl-3-(1-oxo-2H-isoquinolin-7-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2cc[nH]c(=O)c2c1
InChIInChI=1S/C20H18N2O2/c1-12-2-3-15(19(23)22-16-6-7-16)11-17(12)14-5-4-13-8-9-21-20(24)18(13)10-14/h2-5,8-11,16H,6-7H2,1H3,(H,21,24)(H,22,23)
InChIKeyJZPJXHAIVRFFPE-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.40
Rot. Bonds3

About N-cyclopropyl-4-methyl-3-(1-oxo-2H-isoquinolin-7-yl)benzamide

N-cyclopropyl-4-methyl-3-(1-oxo-2H-isoquinolin-7-yl)benzamide (PubChem CID 44580582) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-(1-oxo-2H-isoquinolin-7-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-(1-oxo-2H-isoquinolin-7-yl)benzamide
PubChem CID44580582
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-cyclopropyl-4-methyl-3-(1-oxo-2H-isoquinolin-7-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2cc[nH]c(=O)c2c1
InChIInChI=1S/C20H18N2O2/c1-12-2-3-15(19(23)22-16-6-7-16)11-17(12)14-5-4-13-8-9-21-20(24)18(13)10-14/h2-5,8-11,16H,6-7H2,1H3,(H,21,24)(H,22,23)
InChIKeyJZPJXHAIVRFFPE-UHFFFAOYSA-N
XLogP3.40
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-(1-oxo-2H-isoquinolin-7-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-(1-oxo-2H-isoquinolin-7-yl)benzamide (CID 44580582) is N-cyclopropyl-4-methyl-3-(1-oxo-2H-isoquinolin-7-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-(1-oxo-2H-isoquinolin-7-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-(1-oxo-2H-isoquinolin-7-yl)benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2cc[nH]c(=O)c2c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-(1-oxo-2H-isoquinolin-7-yl)benzamide?
The InChIKey is JZPJXHAIVRFFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-12-2-3-15(19(23)22-16-6-7-16)11-17(12)14-5-4-13-8-9-21-20(24)18(13)10-14/h2-5,8-11,16H,6-7H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-cyclopropyl-4-methyl-3-(1-oxo-2H-isoquinolin-7-yl)benzamide?
N-cyclopropyl-4-methyl-3-(1-oxo-2H-isoquinolin-7-yl)benzamide has a molecular weight of 318.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-(1-oxo-2H-isoquinolin-7-yl)benzamide is sourced from PubChem (CID 44580582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).