N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide

C20H19N3O — CID 162460260

IUPACN-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide
SMILESO=C(NCC1CNC1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H19N3O/c24-20(22-13-14-11-21-12-14)17-10-19(15-6-2-1-3-7-15)23-18-9-5-4-8-16(17)18/h1-10,14,21H,11-13H2,(H,22,24)
InChIKeyXFSSKPNPCJVSIV-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.85
Rot. Bonds4

About N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide

N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide (PubChem CID 162460260) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide
PubChem CID162460260
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide
SMILESO=C(NCC1CNC1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H19N3O/c24-20(22-13-14-11-21-12-14)17-10-19(15-6-2-1-3-7-15)23-18-9-5-4-8-16(17)18/h1-10,14,21H,11-13H2,(H,22,24)
InChIKeyXFSSKPNPCJVSIV-UHFFFAOYSA-N
XLogP2.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide
CID 95756265
[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406
[4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
CID 68875975
2-phenyl-N-prop-2-ynylquinoline-4-carboxamide
CID 17474136
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
2-(3-carbamoylphenyl)-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide
CID 70991240
N-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 119459873
1-(2-phenylquinolin-4-yl)-2-piperidin-3-ylethanone
CID 12799874
N-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide
CID 31850076
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride
CID 119557872

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide (CID 162460260) is N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide is O=C(NCC1CNC1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is XFSSKPNPCJVSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(22-13-14-11-21-12-14)17-10-19(15-6-2-1-3-7-15)23-18-9-5-4-8-16(17)18/h1-10,14,21H,11-13H2,(H,22,24).
What are the key properties of N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide?
N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 162460260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).