N-tert-butyl-3-(quinolin-4-ylmethylamino)thiophene-2-carbohydrazide

C19H22N4OS — CID 91446836

IUPACN-tert-butyl-3-(quinolin-4-ylmethylamino)thiophene-2-carbohydrazide
SMILESCC(C)(C)N(N)C(=O)c1sccc1NCc1ccnc2ccccc12
InChIInChI=1S/C19H22N4OS/c1-19(2,3)23(20)18(24)17-16(9-11-25-17)22-12-13-8-10-21-15-7-5-4-6-14(13)15/h4-11,22H,12,20H2,1-3H3
InChIKeyJAVKHJFBWBOEIM-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.02
Rot. Bonds4

About N-tert-butyl-3-(quinolin-4-ylmethylamino)thiophene-2-carbohydrazide

N-tert-butyl-3-(quinolin-4-ylmethylamino)thiophene-2-carbohydrazide (PubChem CID 91446836) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-tert-butyl-3-(quinolin-4-ylmethylamino)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN-tert-butyl-3-(quinolin-4-ylmethylamino)thiophene-2-carbohydrazide
PubChem CID91446836
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-tert-butyl-3-(quinolin-4-ylmethylamino)thiophene-2-carbohydrazide
SMILESCC(C)(C)N(N)C(=O)c1sccc1NCc1ccnc2ccccc12
InChIInChI=1S/C19H22N4OS/c1-19(2,3)23(20)18(24)17-16(9-11-25-17)22-12-13-8-10-21-15-7-5-4-6-14(13)15/h4-11,22H,12,20H2,1-3H3
InChIKeyJAVKHJFBWBOEIM-UHFFFAOYSA-N
XLogP4.02
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 N-tert-butyl-3-(quinolin-4-ylmethylamino)thiophene-2-carbohydrazide?
The IUPAC name of N-tert-butyl-3-(quinolin-4-ylmethylamino)thiophene-2-carbohydrazide (CID 91446836) is N-tert-butyl-3-(quinolin-4-ylmethylamino)thiophene-2-carbohydrazide.
What is the SMILES notation for N-tert-butyl-3-(quinolin-4-ylmethylamino)thiophene-2-carbohydrazide?
The canonical SMILES for N-tert-butyl-3-(quinolin-4-ylmethylamino)thiophene-2-carbohydrazide is CC(C)(C)N(N)C(=O)c1sccc1NCc1ccnc2ccccc12.
What is the InChIKey of N-tert-butyl-3-(quinolin-4-ylmethylamino)thiophene-2-carbohydrazide?
The InChIKey is JAVKHJFBWBOEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-19(2,3)23(20)18(24)17-16(9-11-25-17)22-12-13-8-10-21-15-7-5-4-6-14(13)15/h4-11,22H,12,20H2,1-3H3.
What are the key properties of N-tert-butyl-3-(quinolin-4-ylmethylamino)thiophene-2-carbohydrazide?
N-tert-butyl-3-(quinolin-4-ylmethylamino)thiophene-2-carbohydrazide has a molecular weight of 354.48 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(quinolin-4-ylmethylamino)thiophene-2-carbohydrazide is sourced from PubChem (CID 91446836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).