5-amino-N-cyclobutyl-3,4-dihydro-2H-quinoline-1-carboxamide

C14H19N3O — CID 116658696

IUPAC5-amino-N-cyclobutyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESNc1cccc2c1CCCN2C(=O)NC1CCC1
InChIInChI=1S/C14H19N3O/c15-12-7-2-8-13-11(12)6-3-9-17(13)14(18)16-10-4-1-5-10/h2,7-8,10H,1,3-6,9,15H2,(H,16,18)
InChIKeyVATLQDXMXDYROQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.28
Rot. Bonds1

About 5-amino-N-cyclobutyl-3,4-dihydro-2H-quinoline-1-carboxamide

5-amino-N-cyclobutyl-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 116658696) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-amino-N-cyclobutyl-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclobutyl-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID116658696
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-amino-N-cyclobutyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESNc1cccc2c1CCCN2C(=O)NC1CCC1
InChIInChI=1S/C14H19N3O/c15-12-7-2-8-13-11(12)6-3-9-17(13)14(18)16-10-4-1-5-10/h2,7-8,10H,1,3-6,9,15H2,(H,16,18)
InChIKeyVATLQDXMXDYROQ-UHFFFAOYSA-N
XLogP2.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 82707476
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone
CID 82761808
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone
CID 82707005
N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221349
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 82706528
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one
CID 112706569
(5R)-5-(5-amino-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 103866804
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dichlorophenyl)methanone
CID 82744828
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone
CID 82705671
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone
CID 82704663
1-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 82705126

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclobutyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 5-amino-N-cyclobutyl-3,4-dihydro-2H-quinoline-1-carboxamide (CID 116658696) is 5-amino-N-cyclobutyl-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 5-amino-N-cyclobutyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 5-amino-N-cyclobutyl-3,4-dihydro-2H-quinoline-1-carboxamide is Nc1cccc2c1CCCN2C(=O)NC1CCC1.
What is the InChIKey of 5-amino-N-cyclobutyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is VATLQDXMXDYROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-12-7-2-8-13-11(12)6-3-9-17(13)14(18)16-10-4-1-5-10/h2,7-8,10H,1,3-6,9,15H2,(H,16,18).
What are the key properties of 5-amino-N-cyclobutyl-3,4-dihydro-2H-quinoline-1-carboxamide?
5-amino-N-cyclobutyl-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclobutyl-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 116658696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).