N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide

C21H20N2O2 — CID 2873539

IUPACN-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H20N2O2/c24-21(22-14-16-9-6-12-25-16)18-13-20(15-7-2-1-3-8-15)23-19-11-5-4-10-17(18)19/h1-5,7-8,10-11,13,16H,6,9,12,14H2,(H,22,24)
InChIKeyZLPQNEBQRNLUPQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.81
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide

N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide (PubChem CID 2873539) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
PubChem CID2873539
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H20N2O2/c24-21(22-14-16-9-6-12-25-16)18-13-20(15-7-2-1-3-8-15)23-19-11-5-4-10-17(18)19/h1-5,7-8,10-11,13,16H,6,9,12,14H2,(H,22,24)
InChIKeyZLPQNEBQRNLUPQ-UHFFFAOYSA-N
XLogP3.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide (CID 2873539) is N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide is O=C(NCC1CCCO1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is ZLPQNEBQRNLUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-21(22-14-16-9-6-12-25-16)18-13-20(15-7-2-1-3-8-15)23-19-11-5-4-10-17(18)19/h1-5,7-8,10-11,13,16H,6,9,12,14H2,(H,22,24).
What are the key properties of N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide?
N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 2873539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).