N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide

C15H19N3O — CID 62094391

IUPACN-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(C)CCN)c2ccccc2n1
InChIInChI=1S/C15H19N3O/c1-10(7-8-16)18-15(19)13-9-11(2)17-14-6-4-3-5-12(13)14/h3-6,9-10H,7-8,16H2,1-2H3,(H,18,19)
InChIKeyIHEWDWLKLBJEBE-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.01
Rot. Bonds4

About N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide

N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide (PubChem CID 62094391) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
PubChem CID62094391
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(C)CCN)c2ccccc2n1
InChIInChI=1S/C15H19N3O/c1-10(7-8-16)18-15(19)13-9-11(2)17-14-6-4-3-5-12(13)14/h3-6,9-10H,7-8,16H2,1-2H3,(H,18,19)
InChIKeyIHEWDWLKLBJEBE-UHFFFAOYSA-N
XLogP2.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide (CID 62094391) is N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NC(C)CCN)c2ccccc2n1.
What is the InChIKey of N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide?
The InChIKey is IHEWDWLKLBJEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(7-8-16)18-15(19)13-9-11(2)17-14-6-4-3-5-12(13)14/h3-6,9-10H,7-8,16H2,1-2H3,(H,18,19).
What are the key properties of N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide?
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 62094391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).