2-hydrazinyl-N-propan-2-ylquinoline-4-carboxamide

C13H16N4O — CID 15321630

IUPAC2-hydrazinyl-N-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc(NN)nc2ccccc12
InChIInChI=1S/C13H16N4O/c1-8(2)15-13(18)10-7-12(17-14)16-11-6-4-3-5-9(10)11/h3-8H,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyMRKKUVPWYNWJHT-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.66
Rot. Bonds3

About 2-hydrazinyl-N-propan-2-ylquinoline-4-carboxamide

2-hydrazinyl-N-propan-2-ylquinoline-4-carboxamide (PubChem CID 15321630) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-hydrazinyl-N-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-hydrazinyl-N-propan-2-ylquinoline-4-carboxamide
PubChem CID15321630
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-hydrazinyl-N-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc(NN)nc2ccccc12
InChIInChI=1S/C13H16N4O/c1-8(2)15-13(18)10-7-12(17-14)16-11-6-4-3-5-9(10)11/h3-8H,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyMRKKUVPWYNWJHT-UHFFFAOYSA-N
XLogP1.66
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of 2-hydrazinyl-N-propan-2-ylquinoline-4-carboxamide (CID 15321630) is 2-hydrazinyl-N-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-hydrazinyl-N-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for 2-hydrazinyl-N-propan-2-ylquinoline-4-carboxamide is CC(C)NC(=O)c1cc(NN)nc2ccccc12.
What is the InChIKey of 2-hydrazinyl-N-propan-2-ylquinoline-4-carboxamide?
The InChIKey is MRKKUVPWYNWJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8(2)15-13(18)10-7-12(17-14)16-11-6-4-3-5-9(10)11/h3-8H,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-hydrazinyl-N-propan-2-ylquinoline-4-carboxamide?
2-hydrazinyl-N-propan-2-ylquinoline-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 15321630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).