N-(furan-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide

C19H14N2O2S — CID 898094

IUPACN-(furan-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NCc1ccco1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H14N2O2S/c22-19(20-12-13-5-3-9-23-13)15-11-17(18-8-4-10-24-18)21-16-7-2-1-6-14(15)16/h1-11H,12H2,(H,20,22)
InChIKeyKVZLHDHHFIYJQN-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.49
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(furan-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 898094) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID898094
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC NameN-(furan-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NCc1ccco1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H14N2O2S/c22-19(20-12-13-5-3-9-23-13)15-11-17(18-8-4-10-24-18)21-16-7-2-1-6-14(15)16/h1-11H,12H2,(H,20,22)
InChIKeyKVZLHDHHFIYJQN-UHFFFAOYSA-N
XLogP4.49
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 898094) is N-(furan-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide is O=C(NCc1ccco1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(furan-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is KVZLHDHHFIYJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-19(20-12-13-5-3-9-23-13)15-11-17(18-8-4-10-24-18)21-16-7-2-1-6-14(15)16/h1-11H,12H2,(H,20,22).
What are the key properties of N-(furan-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(furan-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 898094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).