N-[1-(oxolan-2-yl)ethyl]-2-phenylquinoline-4-carboxamide

C22H22N2O2 — CID 2965352

IUPACN-[1-(oxolan-2-yl)ethyl]-2-phenylquinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)C1CCCO1
InChIInChI=1S/C22H22N2O2/c1-15(21-12-7-13-26-21)23-22(25)18-14-20(16-8-3-2-4-9-16)24-19-11-6-5-10-17(18)19/h2-6,8-11,14-15,21H,7,12-13H2,1H3,(H,23,25)
InChIKeyQKVDQSBBZZFHKS-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.20
Rot. Bonds4

About N-[1-(oxolan-2-yl)ethyl]-2-phenylquinoline-4-carboxamide

N-[1-(oxolan-2-yl)ethyl]-2-phenylquinoline-4-carboxamide (PubChem CID 2965352) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-2-phenylquinoline-4-carboxamide
PubChem CID2965352
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-2-phenylquinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)C1CCCO1
InChIInChI=1S/C22H22N2O2/c1-15(21-12-7-13-26-21)23-22(25)18-14-20(16-8-3-2-4-9-16)24-19-11-6-5-10-17(18)19/h2-6,8-11,14-15,21H,7,12-13H2,1H3,(H,23,25)
InChIKeyQKVDQSBBZZFHKS-UHFFFAOYSA-N
XLogP4.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-2-phenylquinoline-4-carboxamide (CID 2965352) is N-[1-(oxolan-2-yl)ethyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-2-phenylquinoline-4-carboxamide is CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is QKVDQSBBZZFHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15(21-12-7-13-26-21)23-22(25)18-14-20(16-8-3-2-4-9-16)24-19-11-6-5-10-17(18)19/h2-6,8-11,14-15,21H,7,12-13H2,1H3,(H,23,25).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-2-phenylquinoline-4-carboxamide?
N-[1-(oxolan-2-yl)ethyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 2965352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).