2-amino-N-tert-butylquinoline-4-carboxamide

C14H17N3O — CID 62156554

IUPAC2-amino-N-tert-butylquinoline-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(N)nc2ccccc12
InChIInChI=1S/C14H17N3O/c1-14(2,3)17-13(18)10-8-12(15)16-11-7-5-4-6-9(10)11/h4-8H,1-3H3,(H2,15,16)(H,17,18)
InChIKeyZQDLUBYMCRQRED-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.35
Rot. Bonds1

About 2-amino-N-tert-butylquinoline-4-carboxamide

2-amino-N-tert-butylquinoline-4-carboxamide (PubChem CID 62156554) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-amino-N-tert-butylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-tert-butylquinoline-4-carboxamide
PubChem CID62156554
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-amino-N-tert-butylquinoline-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(N)nc2ccccc12
InChIInChI=1S/C14H17N3O/c1-14(2,3)17-13(18)10-8-12(15)16-11-7-5-4-6-9(10)11/h4-8H,1-3H3,(H2,15,16)(H,17,18)
InChIKeyZQDLUBYMCRQRED-UHFFFAOYSA-N
XLogP2.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-methylphenyl)quinoline-4-carboxamide
CID 62154395
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide
CID 106280040
N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 5043299
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide
CID 62152474
2-amino-N-(2-chlorophenyl)quinoline-4-carboxamide
CID 62155570
2-amino-N-(4,4,4-trifluorobutyl)quinoline-4-carboxamide
CID 115522077
N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide
CID 63193778
2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide
CID 62155502
2-amino-N-[2-(2-methoxyethoxy)ethyl]quinoline-4-carboxamide
CID 62160032
2-amino-N-(4-methylpentyl)quinoline-4-carboxamide
CID 63002970
2-amino-N-hexan-3-ylquinoline-4-carboxamide
CID 62160815

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-tert-butylquinoline-4-carboxamide?
The IUPAC name of 2-amino-N-tert-butylquinoline-4-carboxamide (CID 62156554) is 2-amino-N-tert-butylquinoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-tert-butylquinoline-4-carboxamide?
The canonical SMILES for 2-amino-N-tert-butylquinoline-4-carboxamide is CC(C)(C)NC(=O)c1cc(N)nc2ccccc12.
What is the InChIKey of 2-amino-N-tert-butylquinoline-4-carboxamide?
The InChIKey is ZQDLUBYMCRQRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(2,3)17-13(18)10-8-12(15)16-11-7-5-4-6-9(10)11/h4-8H,1-3H3,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-N-tert-butylquinoline-4-carboxamide?
2-amino-N-tert-butylquinoline-4-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-tert-butylquinoline-4-carboxamide is sourced from PubChem (CID 62156554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).