2-amino-N-(1-methoxy-3-methylbutan-2-yl)quinoline-4-carboxamide

C16H21N3O2 — CID 65053035

IUPAC2-amino-N-(1-methoxy-3-methylbutan-2-yl)quinoline-4-carboxamide
SMILESCOCC(NC(=O)c1cc(N)nc2ccccc12)C(C)C
InChIInChI=1S/C16H21N3O2/c1-10(2)14(9-21-3)19-16(20)12-8-15(17)18-13-7-5-4-6-11(12)13/h4-8,10,14H,9H2,1-3H3,(H2,17,18)(H,19,20)
InChIKeyQGKJHXXKVVLHDR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.22
Rot. Bonds5

About 2-amino-N-(1-methoxy-3-methylbutan-2-yl)quinoline-4-carboxamide

2-amino-N-(1-methoxy-3-methylbutan-2-yl)quinoline-4-carboxamide (PubChem CID 65053035) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-amino-N-(1-methoxy-3-methylbutan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-methoxy-3-methylbutan-2-yl)quinoline-4-carboxamide
PubChem CID65053035
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-amino-N-(1-methoxy-3-methylbutan-2-yl)quinoline-4-carboxamide
SMILESCOCC(NC(=O)c1cc(N)nc2ccccc12)C(C)C
InChIInChI=1S/C16H21N3O2/c1-10(2)14(9-21-3)19-16(20)12-8-15(17)18-13-7-5-4-6-11(12)13/h4-8,10,14H,9H2,1-3H3,(H2,17,18)(H,19,20)
InChIKeyQGKJHXXKVVLHDR-UHFFFAOYSA-N
XLogP2.22
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(2-methoxyethoxy)ethyl]quinoline-4-carboxamide
CID 62160032
2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide
CID 64643078
2-amino-N-hexan-3-ylquinoline-4-carboxamide
CID 62160815
2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 106218026
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide
CID 62640770
2-amino-N-(4-methylpentyl)quinoline-4-carboxamide
CID 63002970
2-amino-N-tert-butylquinoline-4-carboxamide
CID 62156554
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide
CID 123132663
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide
CID 106280040
5-amino-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65049581
2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide
CID 62152474
N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 29198652

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-methoxy-3-methylbutan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-amino-N-(1-methoxy-3-methylbutan-2-yl)quinoline-4-carboxamide (CID 65053035) is 2-amino-N-(1-methoxy-3-methylbutan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-(1-methoxy-3-methylbutan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-amino-N-(1-methoxy-3-methylbutan-2-yl)quinoline-4-carboxamide is COCC(NC(=O)c1cc(N)nc2ccccc12)C(C)C.
What is the InChIKey of 2-amino-N-(1-methoxy-3-methylbutan-2-yl)quinoline-4-carboxamide?
The InChIKey is QGKJHXXKVVLHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)14(9-21-3)19-16(20)12-8-15(17)18-13-7-5-4-6-11(12)13/h4-8,10,14H,9H2,1-3H3,(H2,17,18)(H,19,20).
What are the key properties of 2-amino-N-(1-methoxy-3-methylbutan-2-yl)quinoline-4-carboxamide?
2-amino-N-(1-methoxy-3-methylbutan-2-yl)quinoline-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methoxy-3-methylbutan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 65053035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).