N-(furan-2-ylmethyl)quinoline-2-carboxamide

C15H12N2O2 — CID 566063

IUPACN-(furan-2-ylmethyl)quinoline-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2ccccc2n1
InChIInChI=1S/C15H12N2O2/c18-15(16-10-12-5-3-9-19-12)14-8-7-11-4-1-2-6-13(11)17-14/h1-9H,10H2,(H,16,18)
InChIKeyDNSJTDCLPDQFER-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.76
Rot. Bonds3

About N-(furan-2-ylmethyl)quinoline-2-carboxamide

N-(furan-2-ylmethyl)quinoline-2-carboxamide (PubChem CID 566063) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)quinoline-2-carboxamide
PubChem CID566063
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC NameN-(furan-2-ylmethyl)quinoline-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2ccccc2n1
InChIInChI=1S/C15H12N2O2/c18-15(16-10-12-5-3-9-19-12)14-8-7-11-4-1-2-6-13(11)17-14/h1-9H,10H2,(H,16,18)
InChIKeyDNSJTDCLPDQFER-UHFFFAOYSA-N
XLogP2.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)quinoline-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)quinoline-2-carboxamide (CID 566063) is N-(furan-2-ylmethyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)quinoline-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)quinoline-2-carboxamide is O=C(NCc1ccco1)c1ccc2ccccc2n1.
What is the InChIKey of N-(furan-2-ylmethyl)quinoline-2-carboxamide?
The InChIKey is DNSJTDCLPDQFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-15(16-10-12-5-3-9-19-12)14-8-7-11-4-1-2-6-13(11)17-14/h1-9H,10H2,(H,16,18).
What are the key properties of N-(furan-2-ylmethyl)quinoline-2-carboxamide?
N-(furan-2-ylmethyl)quinoline-2-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)quinoline-2-carboxamide is sourced from PubChem (CID 566063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).