2-amino-N-(3,3-dimethylbutan-2-yl)-N-methylquinoline-4-carboxamide

C17H23N3O — CID 62160861

IUPAC2-amino-N-(3,3-dimethylbutan-2-yl)-N-methylquinoline-4-carboxamide
SMILESCC(N(C)C(=O)c1cc(N)nc2ccccc12)C(C)(C)C
InChIInChI=1S/C17H23N3O/c1-11(17(2,3)4)20(5)16(21)13-10-15(18)19-14-9-7-6-8-12(13)14/h6-11H,1-5H3,(H2,18,19)
InChIKeyBWKOZDZOIDXAFO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.32
Rot. Bonds2

About 2-amino-N-(3,3-dimethylbutan-2-yl)-N-methylquinoline-4-carboxamide

2-amino-N-(3,3-dimethylbutan-2-yl)-N-methylquinoline-4-carboxamide (PubChem CID 62160861) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-amino-N-(3,3-dimethylbutan-2-yl)-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3,3-dimethylbutan-2-yl)-N-methylquinoline-4-carboxamide
PubChem CID62160861
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-amino-N-(3,3-dimethylbutan-2-yl)-N-methylquinoline-4-carboxamide
SMILESCC(N(C)C(=O)c1cc(N)nc2ccccc12)C(C)(C)C
InChIInChI=1S/C17H23N3O/c1-11(17(2,3)4)20(5)16(21)13-10-15(18)19-14-9-7-6-8-12(13)14/h6-11H,1-5H3,(H2,18,19)
InChIKeyBWKOZDZOIDXAFO-UHFFFAOYSA-N
XLogP3.32
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide
CID 62154754
2-amino-N-methyl-N-phenylquinoline-4-carboxamide
CID 62155545
2-amino-N-methyl-N-(2-methylbutan-2-yl)quinoline-4-carboxamide
CID 63961651
2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 62185839
2-amino-N-ethyl-N-methylquinoline-4-carboxamide
CID 62154590
2-amino-N-ethyl-N-propan-2-ylquinoline-4-carboxamide
CID 62154240
2-amino-N,N-diethylquinoline-4-carboxamide
CID 62155871
2-amino-N-cyclopropyl-N-methylquinoline-4-carboxamide
CID 62156130
2-amino-N-[2-(dimethylamino)ethyl]-N-methylquinoline-4-carboxamide
CID 63727745
2-amino-N-tert-butylquinoline-4-carboxamide
CID 62156554
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide
CID 62640770
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide
CID 106280040

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,3-dimethylbutan-2-yl)-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-amino-N-(3,3-dimethylbutan-2-yl)-N-methylquinoline-4-carboxamide (CID 62160861) is 2-amino-N-(3,3-dimethylbutan-2-yl)-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3,3-dimethylbutan-2-yl)-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-amino-N-(3,3-dimethylbutan-2-yl)-N-methylquinoline-4-carboxamide is CC(N(C)C(=O)c1cc(N)nc2ccccc12)C(C)(C)C.
What is the InChIKey of 2-amino-N-(3,3-dimethylbutan-2-yl)-N-methylquinoline-4-carboxamide?
The InChIKey is BWKOZDZOIDXAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(17(2,3)4)20(5)16(21)13-10-15(18)19-14-9-7-6-8-12(13)14/h6-11H,1-5H3,(H2,18,19).
What are the key properties of 2-amino-N-(3,3-dimethylbutan-2-yl)-N-methylquinoline-4-carboxamide?
2-amino-N-(3,3-dimethylbutan-2-yl)-N-methylquinoline-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,3-dimethylbutan-2-yl)-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 62160861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).