N-cyclopropyl-3-isoquinolin-7-yl-4-methylbenzamide

C20H18N2O — CID 44580649

IUPACN-cyclopropyl-3-isoquinolin-7-yl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2ccncc2c1
InChIInChI=1S/C20H18N2O/c1-13-2-3-16(20(23)22-18-6-7-18)11-19(13)15-5-4-14-8-9-21-12-17(14)10-15/h2-5,8-12,18H,6-7H2,1H3,(H,22,23)
InChIKeyVAGUQCZJQQNYIR-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.10
Rot. Bonds3

About N-cyclopropyl-3-isoquinolin-7-yl-4-methylbenzamide

N-cyclopropyl-3-isoquinolin-7-yl-4-methylbenzamide (PubChem CID 44580649) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-cyclopropyl-3-isoquinolin-7-yl-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-isoquinolin-7-yl-4-methylbenzamide
PubChem CID44580649
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC NameN-cyclopropyl-3-isoquinolin-7-yl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2ccncc2c1
InChIInChI=1S/C20H18N2O/c1-13-2-3-16(20(23)22-18-6-7-18)11-19(13)15-5-4-14-8-9-21-12-17(14)10-15/h2-5,8-12,18H,6-7H2,1H3,(H,22,23)
InChIKeyVAGUQCZJQQNYIR-UHFFFAOYSA-N
XLogP4.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-isoquinolin-7-yl-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-isoquinolin-7-yl-4-methylbenzamide (CID 44580649) is N-cyclopropyl-3-isoquinolin-7-yl-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-isoquinolin-7-yl-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-isoquinolin-7-yl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2ccncc2c1.
What is the InChIKey of N-cyclopropyl-3-isoquinolin-7-yl-4-methylbenzamide?
The InChIKey is VAGUQCZJQQNYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-13-2-3-16(20(23)22-18-6-7-18)11-19(13)15-5-4-14-8-9-21-12-17(14)10-15/h2-5,8-12,18H,6-7H2,1H3,(H,22,23).
What are the key properties of N-cyclopropyl-3-isoquinolin-7-yl-4-methylbenzamide?
N-cyclopropyl-3-isoquinolin-7-yl-4-methylbenzamide has a molecular weight of 302.38 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-isoquinolin-7-yl-4-methylbenzamide is sourced from PubChem (CID 44580649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).