N-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide

C15H17N3O — CID 66004939

IUPACN-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide
SMILESNC1CC(CNC(=O)c2ccc3ncccc3c2)C1
InChIInChI=1S/C15H17N3O/c16-13-6-10(7-13)9-18-15(19)12-3-4-14-11(8-12)2-1-5-17-14/h1-5,8,10,13H,6-7,9,16H2,(H,18,19)
InChIKeyUDYIMZMBGHVLIU-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.70
Rot. Bonds3

About N-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide

N-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide (PubChem CID 66004939) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide
PubChem CID66004939
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide
SMILESNC1CC(CNC(=O)c2ccc3ncccc3c2)C1
InChIInChI=1S/C15H17N3O/c16-13-6-10(7-13)9-18-15(19)12-3-4-14-11(8-12)2-1-5-17-14/h1-5,8,10,13H,6-7,9,16H2,(H,18,19)
InChIKeyUDYIMZMBGHVLIU-UHFFFAOYSA-N
XLogP1.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-ylmethyl)quinoline-6-carboxamide
CID 62874382
N-(2-amino-2-sulfanylideneethyl)quinoline-6-carboxamide
CID 62850973
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
N-(2-ethylbutyl)quinoline-6-carboxamide
CID 115613111
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide
CID 107261247
N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide
CID 66006240
N-(3-amino-2-methylpropyl)quinoline-6-carboxamide
CID 55126976
N-[[1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]quinoline-6-carboxamide
CID 167779933
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919
N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide
CID 113273458
N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-6-carboxamide
CID 120670665

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide (CID 66004939) is N-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide is NC1CC(CNC(=O)c2ccc3ncccc3c2)C1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide?
The InChIKey is UDYIMZMBGHVLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-13-6-10(7-13)9-18-15(19)12-3-4-14-11(8-12)2-1-5-17-14/h1-5,8,10,13H,6-7,9,16H2,(H,18,19).
What are the key properties of N-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide?
N-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide is sourced from PubChem (CID 66004939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).