1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one

C15H13NO3 — CID 114820791

IUPAC1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one
SMILESCc1cc(C(=O)N2CCC(=O)c3ccccc32)co1
InChIInChI=1S/C15H13NO3/c1-10-8-11(9-19-10)15(18)16-7-6-14(17)12-4-2-3-5-13(12)16/h2-5,8-9H,6-7H2,1H3
InChIKeyPXNMTBSXSAOKHT-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.82
Rot. Bonds1

About 1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one

1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one (PubChem CID 114820791) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one
PubChem CID114820791
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one
SMILESCc1cc(C(=O)N2CCC(=O)c3ccccc32)co1
InChIInChI=1S/C15H13NO3/c1-10-8-11(9-19-10)15(18)16-7-6-14(17)12-4-2-3-5-13(12)16/h2-5,8-9H,6-7H2,1H3
InChIKeyPXNMTBSXSAOKHT-UHFFFAOYSA-N
XLogP2.82
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 107951278
1-(5-methylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 114819137
1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336564
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
1-(2,3-dihydroxybenzoyl)-2,3-dihydroquinolin-4-one
CID 114343657
N,N-diethyl-4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)benzenesulfonamide
CID 110424746
1-(2,4-dibromobenzoyl)-2,3-dihydroquinolin-4-one
CID 107939085
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methylfuran-3-yl)methanone
CID 114821989
1-(4-aminobenzoyl)-2,3,4,5-tetrahydro-1-benzazocin-6-one
CID 19608125
1-(2-methylpyrazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336551
1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634836
6-methyl-1-(pyridine-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 110634863

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one (CID 114820791) is 1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one is Cc1cc(C(=O)N2CCC(=O)c3ccccc32)co1.
What is the InChIKey of 1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one?
The InChIKey is PXNMTBSXSAOKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-10-8-11(9-19-10)15(18)16-7-6-14(17)12-4-2-3-5-13(12)16/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one?
1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one has a molecular weight of 255.27 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 114820791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).