N-[2-(furan-2-yl)-2-hydroxyethyl]-2-phenylquinoline-4-carboxamide

C22H18N2O3 — CID 86981104

IUPACN-[2-(furan-2-yl)-2-hydroxyethyl]-2-phenylquinoline-4-carboxamide
SMILESO=C(NCC(O)c1ccco1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H18N2O3/c25-20(21-11-6-12-27-21)14-23-22(26)17-13-19(15-7-2-1-3-8-15)24-18-10-5-4-9-16(17)18/h1-13,20,25H,14H2,(H,23,26)
InChIKeyOQWXTAHTRYFDNL-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.96
Rot. Bonds5

About N-[2-(furan-2-yl)-2-hydroxyethyl]-2-phenylquinoline-4-carboxamide

N-[2-(furan-2-yl)-2-hydroxyethyl]-2-phenylquinoline-4-carboxamide (PubChem CID 86981104) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxyethyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxyethyl]-2-phenylquinoline-4-carboxamide
PubChem CID86981104
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-[2-(furan-2-yl)-2-hydroxyethyl]-2-phenylquinoline-4-carboxamide
SMILESO=C(NCC(O)c1ccco1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H18N2O3/c25-20(21-11-6-12-27-21)14-23-22(26)17-13-19(15-7-2-1-3-8-15)24-18-10-5-4-9-16(17)18/h1-13,20,25H,14H2,(H,23,26)
InChIKeyOQWXTAHTRYFDNL-UHFFFAOYSA-N
XLogP3.96
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 39339230
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42654572
2-(furan-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide
CID 78800391
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
CID 9079005
N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370
N-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 41090476
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 51162734
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
CID 3975815
2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 5116892

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-2-phenylquinoline-4-carboxamide (CID 86981104) is N-[2-(furan-2-yl)-2-hydroxyethyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxyethyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxyethyl]-2-phenylquinoline-4-carboxamide is O=C(NCC(O)c1ccco1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxyethyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is OQWXTAHTRYFDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-20(21-11-6-12-27-21)14-23-22(26)17-13-19(15-7-2-1-3-8-15)24-18-10-5-4-9-16(17)18/h1-13,20,25H,14H2,(H,23,26).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxyethyl]-2-phenylquinoline-4-carboxamide?
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxyethyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 86981104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).