N-cyclopropyl-4-methyl-3-(4-propan-2-yloxyisoquinolin-7-yl)benzamide

C23H24N2O2 — CID 25130181

IUPACN-cyclopropyl-4-methyl-3-(4-propan-2-yloxyisoquinolin-7-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(OC(C)C)cncc2c1
InChIInChI=1S/C23H24N2O2/c1-14(2)27-22-13-24-12-18-10-16(6-9-20(18)22)21-11-17(5-4-15(21)3)23(26)25-19-7-8-19/h4-6,9-14,19H,7-8H2,1-3H3,(H,25,26)
InChIKeyDKHCMNUPWHVUKS-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.89
Rot. Bonds5

About N-cyclopropyl-4-methyl-3-(4-propan-2-yloxyisoquinolin-7-yl)benzamide

N-cyclopropyl-4-methyl-3-(4-propan-2-yloxyisoquinolin-7-yl)benzamide (PubChem CID 25130181) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-(4-propan-2-yloxyisoquinolin-7-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-(4-propan-2-yloxyisoquinolin-7-yl)benzamide
PubChem CID25130181
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-cyclopropyl-4-methyl-3-(4-propan-2-yloxyisoquinolin-7-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(OC(C)C)cncc2c1
InChIInChI=1S/C23H24N2O2/c1-14(2)27-22-13-24-12-18-10-16(6-9-20(18)22)21-11-17(5-4-15(21)3)23(26)25-19-7-8-19/h4-6,9-14,19H,7-8H2,1-3H3,(H,25,26)
InChIKeyDKHCMNUPWHVUKS-UHFFFAOYSA-N
XLogP4.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-(4-propan-2-yloxyisoquinolin-7-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-(4-propan-2-yloxyisoquinolin-7-yl)benzamide (CID 25130181) is N-cyclopropyl-4-methyl-3-(4-propan-2-yloxyisoquinolin-7-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-(4-propan-2-yloxyisoquinolin-7-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-(4-propan-2-yloxyisoquinolin-7-yl)benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(OC(C)C)cncc2c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-(4-propan-2-yloxyisoquinolin-7-yl)benzamide?
The InChIKey is DKHCMNUPWHVUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-14(2)27-22-13-24-12-18-10-16(6-9-20(18)22)21-11-17(5-4-15(21)3)23(26)25-19-7-8-19/h4-6,9-14,19H,7-8H2,1-3H3,(H,25,26).
What are the key properties of N-cyclopropyl-4-methyl-3-(4-propan-2-yloxyisoquinolin-7-yl)benzamide?
N-cyclopropyl-4-methyl-3-(4-propan-2-yloxyisoquinolin-7-yl)benzamide has a molecular weight of 360.46 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-(4-propan-2-yloxyisoquinolin-7-yl)benzamide is sourced from PubChem (CID 25130181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).