N-[2-(dimethylamino)-2-phenylethyl]-2-(furan-2-yl)quinoline-4-carboxamide

C24H23N3O2 — CID 3372555

IUPACN-[2-(dimethylamino)-2-phenylethyl]-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCN(C)C(CNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C24H23N3O2/c1-27(2)22(17-9-4-3-5-10-17)16-25-24(28)19-15-21(23-13-8-14-29-23)26-20-12-7-6-11-18(19)20/h3-15,22H,16H2,1-2H3,(H,25,28)
InChIKeyBHKPVOOTZZBNHN-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.53
Rot. Bonds6

About N-[2-(dimethylamino)-2-phenylethyl]-2-(furan-2-yl)quinoline-4-carboxamide

N-[2-(dimethylamino)-2-phenylethyl]-2-(furan-2-yl)quinoline-4-carboxamide (PubChem CID 3372555) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-2-(furan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-2-(furan-2-yl)quinoline-4-carboxamide
PubChem CID3372555
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCN(C)C(CNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C24H23N3O2/c1-27(2)22(17-9-4-3-5-10-17)16-25-24(28)19-15-21(23-13-8-14-29-23)26-20-12-7-6-11-18(19)20/h3-15,22H,16H2,1-2H3,(H,25,28)
InChIKeyBHKPVOOTZZBNHN-UHFFFAOYSA-N
XLogP4.53
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-2-(furan-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-2-(furan-2-yl)quinoline-4-carboxamide (CID 3372555) is N-[2-(dimethylamino)-2-phenylethyl]-2-(furan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-2-(furan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-2-(furan-2-yl)quinoline-4-carboxamide is CN(C)C(CNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-2-(furan-2-yl)quinoline-4-carboxamide?
The InChIKey is BHKPVOOTZZBNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-27(2)22(17-9-4-3-5-10-17)16-25-24(28)19-15-21(23-13-8-14-29-23)26-20-12-7-6-11-18(19)20/h3-15,22H,16H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-2-(furan-2-yl)quinoline-4-carboxamide?
N-[2-(dimethylamino)-2-phenylethyl]-2-(furan-2-yl)quinoline-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-2-(furan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 3372555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).