6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide

C14H21N3O — CID 28785718

IUPAC6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCCc2cc(N)ccc21
InChIInChI=1S/C14H21N3O/c1-14(2,3)16-13(18)17-8-4-5-10-9-11(15)6-7-12(10)17/h6-7,9H,4-5,8,15H2,1-3H3,(H,16,18)
InChIKeyVNIOJZHPQMXTRD-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.53
Rot. Bonds

About 6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide

6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 28785718) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID28785718
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCCc2cc(N)ccc21
InChIInChI=1S/C14H21N3O/c1-14(2,3)16-13(18)17-8-4-5-10-9-11(15)6-7-12(10)17/h6-7,9H,4-5,8,15H2,1-3H3,(H,16,18)
InChIKeyVNIOJZHPQMXTRD-UHFFFAOYSA-N
XLogP2.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

6-amino-N-butyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 28785717
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one
CID 114873454
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone
CID 103161499
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone
CID 107937337
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107670570
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82809490
N-tert-butyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carboxamide
CID 114336650
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103161498
2-methyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
CID 79791498
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-methylphenyl)methanone
CID 81110443
N-(4-aminophenyl)-7-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221292
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 28707153

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide (CID 28785718) is 6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide is CC(C)(C)NC(=O)N1CCCc2cc(N)ccc21.
What is the InChIKey of 6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is VNIOJZHPQMXTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,3)16-13(18)17-8-4-5-10-9-11(15)6-7-12(10)17/h6-7,9H,4-5,8,15H2,1-3H3,(H,16,18).
What are the key properties of 6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide?
6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 28785718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).