N-[6-(2-aminoanilino)-6-oxohexyl]quinoline-7-carboxamide

C22H24N4O2 — CID 45137732

IUPACN-[6-(2-aminoanilino)-6-oxohexyl]quinoline-7-carboxamide
SMILESNc1ccccc1NC(=O)CCCCCNC(=O)c1ccc2cccnc2c1
InChIInChI=1S/C22H24N4O2/c23-18-8-3-4-9-19(18)26-21(27)10-2-1-5-13-25-22(28)17-12-11-16-7-6-14-24-20(16)15-17/h3-4,6-9,11-12,14-15H,1-2,5,10,13,23H2,(H,25,28)(H,26,27)
InChIKeyFVWRPXVKKIOHHF-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.75
Rot. Bonds8

About N-[6-(2-aminoanilino)-6-oxohexyl]quinoline-7-carboxamide

N-[6-(2-aminoanilino)-6-oxohexyl]quinoline-7-carboxamide (PubChem CID 45137732) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[6-(2-aminoanilino)-6-oxohexyl]quinoline-7-carboxamide.

Molecular Properties

Compound NameN-[6-(2-aminoanilino)-6-oxohexyl]quinoline-7-carboxamide
PubChem CID45137732
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[6-(2-aminoanilino)-6-oxohexyl]quinoline-7-carboxamide
SMILESNc1ccccc1NC(=O)CCCCCNC(=O)c1ccc2cccnc2c1
InChIInChI=1S/C22H24N4O2/c23-18-8-3-4-9-19(18)26-21(27)10-2-1-5-13-25-22(28)17-12-11-16-7-6-14-24-20(16)15-17/h3-4,6-9,11-12,14-15H,1-2,5,10,13,23H2,(H,25,28)(H,26,27)
InChIKeyFVWRPXVKKIOHHF-UHFFFAOYSA-N
XLogP3.75
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoanilino)-6-oxohexyl]quinoline-7-carboxamide?
The IUPAC name of N-[6-(2-aminoanilino)-6-oxohexyl]quinoline-7-carboxamide (CID 45137732) is N-[6-(2-aminoanilino)-6-oxohexyl]quinoline-7-carboxamide.
What is the SMILES notation for N-[6-(2-aminoanilino)-6-oxohexyl]quinoline-7-carboxamide?
The canonical SMILES for N-[6-(2-aminoanilino)-6-oxohexyl]quinoline-7-carboxamide is Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc2cccnc2c1.
What is the InChIKey of N-[6-(2-aminoanilino)-6-oxohexyl]quinoline-7-carboxamide?
The InChIKey is FVWRPXVKKIOHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-18-8-3-4-9-19(18)26-21(27)10-2-1-5-13-25-22(28)17-12-11-16-7-6-14-24-20(16)15-17/h3-4,6-9,11-12,14-15H,1-2,5,10,13,23H2,(H,25,28)(H,26,27).
What are the key properties of N-[6-(2-aminoanilino)-6-oxohexyl]quinoline-7-carboxamide?
N-[6-(2-aminoanilino)-6-oxohexyl]quinoline-7-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminoanilino)-6-oxohexyl]quinoline-7-carboxamide is sourced from PubChem (CID 45137732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).