N-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide

C15H17N3O — CID 66005598

IUPACN-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide
SMILESNC1CC(CNC(=O)c2ccc3ccccc3n2)C1
InChIInChI=1S/C15H17N3O/c16-12-7-10(8-12)9-17-15(19)14-6-5-11-3-1-2-4-13(11)18-14/h1-6,10,12H,7-9,16H2,(H,17,19)
InChIKeyQFLUYTANZMPIHD-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.70
Rot. Bonds3

About N-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide

N-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide (PubChem CID 66005598) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide
PubChem CID66005598
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide
SMILESNC1CC(CNC(=O)c2ccc3ccccc3n2)C1
InChIInChI=1S/C15H17N3O/c16-12-7-10(8-12)9-17-15(19)14-6-5-11-3-1-2-4-13(11)18-14/h1-6,10,12H,7-9,16H2,(H,17,19)
InChIKeyQFLUYTANZMPIHD-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-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide
CID 106121586
N-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide
CID 106123559
N-(cyclohexylmethyl)quinoline-2-carboxamide
CID 2496984
N-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide
CID 163308171
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide
CID 134794500
N-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide
CID 69308413
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide
CID 103762543
N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide
CID 115365626
N-(3-oxocyclobutyl)quinoline-2-carboxamide
CID 141469344

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide (CID 66005598) is N-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide is NC1CC(CNC(=O)c2ccc3ccccc3n2)C1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide?
The InChIKey is QFLUYTANZMPIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-12-7-10(8-12)9-17-15(19)14-6-5-11-3-1-2-4-13(11)18-14/h1-6,10,12H,7-9,16H2,(H,17,19).
What are the key properties of N-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide?
N-[(3-aminocyclobutyl)methyl]quinoline-2-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-2-carboxamide is sourced from PubChem (CID 66005598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).