N-(7-anilinoisoquinolin-3-yl)cyclopropanecarboxamide

C19H17N3O — CID 67976399

IUPACN-(7-anilinoisoquinolin-3-yl)cyclopropanecarboxamide
SMILESO=C(Nc1cc2ccc(Nc3ccccc3)cc2cn1)C1CC1
InChIInChI=1S/C19H17N3O/c23-19(13-6-7-13)22-18-11-14-8-9-17(10-15(14)12-20-18)21-16-4-2-1-3-5-16/h1-5,8-13,21H,6-7H2,(H,20,22,23)
InChIKeyQYDAJQUEZNWAFH-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.33
Rot. Bonds4

About N-(7-anilinoisoquinolin-3-yl)cyclopropanecarboxamide

N-(7-anilinoisoquinolin-3-yl)cyclopropanecarboxamide (PubChem CID 67976399) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(7-anilinoisoquinolin-3-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(7-anilinoisoquinolin-3-yl)cyclopropanecarboxamide
PubChem CID67976399
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC NameN-(7-anilinoisoquinolin-3-yl)cyclopropanecarboxamide
SMILESO=C(Nc1cc2ccc(Nc3ccccc3)cc2cn1)C1CC1
InChIInChI=1S/C19H17N3O/c23-19(13-6-7-13)22-18-11-14-8-9-17(10-15(14)12-20-18)21-16-4-2-1-3-5-16/h1-5,8-13,21H,6-7H2,(H,20,22,23)
InChIKeyQYDAJQUEZNWAFH-UHFFFAOYSA-N
XLogP4.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 100472
CID 100472
CID 9549303
CID 9549303
CID 939927
CID 939927
CID 10426159
CID 10426159
CID 10452949
CID 10452949
CID 10640891
CID 10640891
CID 57842673
CID 57842673
CID 59225335
CID 59225335
CID 77620540
CID 77620540
CID 67974814
CID 67974814
CID 46183900
CID 46183900
CID 73438493
CID 73438493

Frequently Asked Questions

What is the IUPAC name of N-(7-anilinoisoquinolin-3-yl)cyclopropanecarboxamide?
The IUPAC name of N-(7-anilinoisoquinolin-3-yl)cyclopropanecarboxamide (CID 67976399) is N-(7-anilinoisoquinolin-3-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(7-anilinoisoquinolin-3-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(7-anilinoisoquinolin-3-yl)cyclopropanecarboxamide is O=C(Nc1cc2ccc(Nc3ccccc3)cc2cn1)C1CC1.
What is the InChIKey of N-(7-anilinoisoquinolin-3-yl)cyclopropanecarboxamide?
The InChIKey is QYDAJQUEZNWAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c23-19(13-6-7-13)22-18-11-14-8-9-17(10-15(14)12-20-18)21-16-4-2-1-3-5-16/h1-5,8-13,21H,6-7H2,(H,20,22,23).
What are the key properties of N-(7-anilinoisoquinolin-3-yl)cyclopropanecarboxamide?
N-(7-anilinoisoquinolin-3-yl)cyclopropanecarboxamide has a molecular weight of 303.37 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-anilinoisoquinolin-3-yl)cyclopropanecarboxamide is sourced from PubChem (CID 67976399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).