N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-methoxyquinoline-3-carboxamide

C17H16N4O2 — CID 155532559

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-7-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3cc(C4CC4)[nH]n3)cnc2c1
InChIInChI=1S/C17H16N4O2/c1-23-13-5-4-11-6-12(9-18-14(11)7-13)17(22)19-16-8-15(20-21-16)10-2-3-10/h4-10H,2-3H2,1H3,(H2,19,20,21,22)
InChIKeyWAAJYUIMXYMCKY-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.10
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-methoxyquinoline-3-carboxamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-methoxyquinoline-3-carboxamide (PubChem CID 155532559) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-7-methoxyquinoline-3-carboxamide
PubChem CID155532559
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-7-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3cc(C4CC4)[nH]n3)cnc2c1
InChIInChI=1S/C17H16N4O2/c1-23-13-5-4-11-6-12(9-18-14(11)7-13)17(22)19-16-8-15(20-21-16)10-2-3-10/h4-10H,2-3H2,1H3,(H2,19,20,21,22)
InChIKeyWAAJYUIMXYMCKY-UHFFFAOYSA-N
XLogP3.10
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-methoxyquinoline-3-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-methoxyquinoline-3-carboxamide (CID 155532559) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-methoxyquinoline-3-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-methoxyquinoline-3-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-methoxyquinoline-3-carboxamide is COc1ccc2cc(C(=O)Nc3cc(C4CC4)[nH]n3)cnc2c1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-methoxyquinoline-3-carboxamide?
The InChIKey is WAAJYUIMXYMCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-23-13-5-4-11-6-12(9-18-14(11)7-13)17(22)19-16-8-15(20-21-16)10-2-3-10/h4-10H,2-3H2,1H3,(H2,19,20,21,22).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-methoxyquinoline-3-carboxamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-methoxyquinoline-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 155532559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).