2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide

C16H21N3O — CID 62185839

IUPAC2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
SMILESCC(C)CCN(C)C(=O)c1cc(N)nc2ccccc12
InChIInChI=1S/C16H21N3O/c1-11(2)8-9-19(3)16(20)13-10-15(17)18-14-7-5-4-6-12(13)14/h4-7,10-11H,8-9H2,1-3H3,(H2,17,18)
InChIKeyALTWNNSVCFMYKD-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.94
Rot. Bonds4

About 2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide

2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide (PubChem CID 62185839) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
PubChem CID62185839
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
SMILESCC(C)CCN(C)C(=O)c1cc(N)nc2ccccc12
InChIInChI=1S/C16H21N3O/c1-11(2)8-9-19(3)16(20)13-10-15(17)18-14-7-5-4-6-12(13)14/h4-7,10-11H,8-9H2,1-3H3,(H2,17,18)
InChIKeyALTWNNSVCFMYKD-UHFFFAOYSA-N
XLogP2.94
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(dimethylamino)ethyl]-N-methylquinoline-4-carboxamide
CID 63727745
2-amino-N-ethyl-N-methylquinoline-4-carboxamide
CID 62154590
2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide
CID 62154754
2-amino-N-methyl-N-(2-methylbutan-2-yl)quinoline-4-carboxamide
CID 63961651
2-amino-N-ethyl-N-propan-2-ylquinoline-4-carboxamide
CID 62154240
2-amino-N-(4-methylpentyl)quinoline-4-carboxamide
CID 63002970
2-amino-N-methyl-N-phenylquinoline-4-carboxamide
CID 62155545
2-amino-N,N-diethylquinoline-4-carboxamide
CID 62155871
2-amino-N-(3,3-dimethylbutan-2-yl)-N-methylquinoline-4-carboxamide
CID 62160861
N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005837
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide
CID 62640770
2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide
CID 64518344

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide (CID 62185839) is 2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide is CC(C)CCN(C)C(=O)c1cc(N)nc2ccccc12.
What is the InChIKey of 2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide?
The InChIKey is ALTWNNSVCFMYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)8-9-19(3)16(20)13-10-15(17)18-14-7-5-4-6-12(13)14/h4-7,10-11H,8-9H2,1-3H3,(H2,17,18).
What are the key properties of 2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide?
2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide is sourced from PubChem (CID 62185839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).