N-(6-quinolin-6-yl-1H-indazol-3-yl)cyclopropanecarboxamide

C20H16N4O — CID 6539596

IUPACN-(6-quinolin-6-yl-1H-indazol-3-yl)cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2cc(-c3ccc4ncccc4c3)ccc12)C1CC1
InChIInChI=1S/C20H16N4O/c25-20(12-3-4-12)22-19-16-7-5-14(11-18(16)23-24-19)13-6-8-17-15(10-13)2-1-9-21-17/h1-2,5-12H,3-4H2,(H2,22,23,24,25)
InChIKeyJFZGEPPVLYJUNT-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.13
Rot. Bonds3

About N-(6-quinolin-6-yl-1H-indazol-3-yl)cyclopropanecarboxamide

N-(6-quinolin-6-yl-1H-indazol-3-yl)cyclopropanecarboxamide (PubChem CID 6539596) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-(6-quinolin-6-yl-1H-indazol-3-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(6-quinolin-6-yl-1H-indazol-3-yl)cyclopropanecarboxamide
PubChem CID6539596
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC NameN-(6-quinolin-6-yl-1H-indazol-3-yl)cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2cc(-c3ccc4ncccc4c3)ccc12)C1CC1
InChIInChI=1S/C20H16N4O/c25-20(12-3-4-12)22-19-16-7-5-14(11-18(16)23-24-19)13-6-8-17-15(10-13)2-1-9-21-17/h1-2,5-12H,3-4H2,(H2,22,23,24,25)
InChIKeyJFZGEPPVLYJUNT-UHFFFAOYSA-N
XLogP4.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-quinolin-6-yl-1H-indazol-3-yl)cyclopropanecarboxamide?
The IUPAC name of N-(6-quinolin-6-yl-1H-indazol-3-yl)cyclopropanecarboxamide (CID 6539596) is N-(6-quinolin-6-yl-1H-indazol-3-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(6-quinolin-6-yl-1H-indazol-3-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(6-quinolin-6-yl-1H-indazol-3-yl)cyclopropanecarboxamide is O=C(Nc1n[nH]c2cc(-c3ccc4ncccc4c3)ccc12)C1CC1.
What is the InChIKey of N-(6-quinolin-6-yl-1H-indazol-3-yl)cyclopropanecarboxamide?
The InChIKey is JFZGEPPVLYJUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c25-20(12-3-4-12)22-19-16-7-5-14(11-18(16)23-24-19)13-6-8-17-15(10-13)2-1-9-21-17/h1-2,5-12H,3-4H2,(H2,22,23,24,25).
What are the key properties of N-(6-quinolin-6-yl-1H-indazol-3-yl)cyclopropanecarboxamide?
N-(6-quinolin-6-yl-1H-indazol-3-yl)cyclopropanecarboxamide has a molecular weight of 328.38 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-quinolin-6-yl-1H-indazol-3-yl)cyclopropanecarboxamide is sourced from PubChem (CID 6539596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).