N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide

C16H14N2O2 — CID 2090989

IUPACN-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)NCc1ccco1
InChIInChI=1S/C16H14N2O2/c1-11-14(9-12-5-2-3-7-15(12)18-11)16(19)17-10-13-6-4-8-20-13/h2-9H,10H2,1H3,(H,17,19)
InChIKeySCIYMOJZFADRRD-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.07
Rot. Bonds3

About N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide

N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide (PubChem CID 2090989) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide
PubChem CID2090989
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)NCc1ccco1
InChIInChI=1S/C16H14N2O2/c1-11-14(9-12-5-2-3-7-15(12)18-11)16(19)17-10-13-6-4-8-20-13/h2-9H,10H2,1H3,(H,17,19)
InChIKeySCIYMOJZFADRRD-UHFFFAOYSA-N
XLogP3.07
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.07
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)-2-methylquinoline-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide (CID 2090989) is N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide is Cc1nc2ccccc2cc1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide?
The InChIKey is SCIYMOJZFADRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-14(9-12-5-2-3-7-15(12)18-11)16(19)17-10-13-6-4-8-20-13/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide?
N-(furan-2-ylmethyl)-2-methylquinoline-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 3.07, 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)-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 2090989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).