N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide

C23H19N3O3 — CID 9079005

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
SMILESO=C(CNC(=O)c1cc(-c2ccccc2)nc2ccccc12)NCc1ccco1
InChIInChI=1S/C23H19N3O3/c27-22(24-14-17-9-6-12-29-17)15-25-23(28)19-13-21(16-7-2-1-3-8-16)26-20-11-5-4-10-18(19)20/h1-13H,14-15H2,(H,24,27)(H,25,28)
InChIKeyXJZFIYSQSBTDMT-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.54
Rot. Bonds6

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide (PubChem CID 9079005) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
PubChem CID9079005
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
SMILESO=C(CNC(=O)c1cc(-c2ccccc2)nc2ccccc12)NCc1ccco1
InChIInChI=1S/C23H19N3O3/c27-22(24-14-17-9-6-12-29-17)15-25-23(28)19-13-21(16-7-2-1-3-8-16)26-20-11-5-4-10-18(19)20/h1-13H,14-15H2,(H,24,27)(H,25,28)
InChIKeyXJZFIYSQSBTDMT-UHFFFAOYSA-N
XLogP3.54
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide
CID 9079495
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-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 9080200
1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30039321
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-phenylquinoline-4-carboxamide
CID 86981104
N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 24538729
2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 17472100
2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide
CID 46375317
2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide
CID 9163082
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide
CID 26713872

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide (CID 9079005) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide is O=C(CNC(=O)c1cc(-c2ccccc2)nc2ccccc12)NCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is XJZFIYSQSBTDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-22(24-14-17-9-6-12-29-17)15-25-23(28)19-13-21(16-7-2-1-3-8-16)26-20-11-5-4-10-18(19)20/h1-13H,14-15H2,(H,24,27)(H,25,28).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 9079005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).