3-[(2R)-2-(furan-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-1-methylquinolin-2-one

C23H19N3O3 — CID 136829145

IUPAC3-[(2R)-2-(furan-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(C2=Nc3ccccc3N[C@@H](c3ccco3)C2)c(O)c2ccccc21
InChIInChI=1S/C23H19N3O3/c1-26-19-10-5-2-7-14(19)22(27)21(23(26)28)18-13-17(20-11-6-12-29-20)24-15-8-3-4-9-16(15)25-18/h2-12,17,24,27H,13H2,1H3/t17-/m1/s1
InChIKeyFLLYTOJUHLUQCZ-QGZVFWFLSA-N
MW385.42 g/mol
LogP4.51
Rot. Bonds2

About 3-[(2R)-2-(furan-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-1-methylquinolin-2-one

3-[(2R)-2-(furan-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-1-methylquinolin-2-one (PubChem CID 136829145) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-[(2R)-2-(furan-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-[(2R)-2-(furan-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-1-methylquinolin-2-one
PubChem CID136829145
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name3-[(2R)-2-(furan-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(C2=Nc3ccccc3N[C@@H](c3ccco3)C2)c(O)c2ccccc21
InChIInChI=1S/C23H19N3O3/c1-26-19-10-5-2-7-14(19)22(27)21(23(26)28)18-13-17(20-11-6-12-29-20)24-15-8-3-4-9-16(15)25-18/h2-12,17,24,27H,13H2,1H3/t17-/m1/s1
InChIKeyFLLYTOJUHLUQCZ-QGZVFWFLSA-N
XLogP4.51
TPSA79.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-2,3-dihydro-1H-1,5-benzodiazepine
CID 4912392
3-[(5R)-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]-4-hydroxy-1-methylquinolin-2-one
CID 135768103
3-[(7S)-3-amino-7-(2,5-dimethylphenyl)-6,7-dihydro-1H-1,2,4-triazepin-5-yl]-4-hydroxy-1-methylquinolin-2-one
CID 163141465
5-[(2R)-2-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 136762105
4-hydroxy-1-methyl-3-[5-(4-oxochromen-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]quinolin-2-one
CID 135788722
4-hydroxy-3-[5-[3-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-1-methylquinolin-2-one
CID 135524286
4-(4-chlorophenyl)-3-[(3S)-3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-1-methylquinolin-2-one
CID 97310084
5,7-dimethyl-13H-quinolino[4,3-b][1,5]benzodiazepin-6-one
CID 135482672
3-[(2S)-2-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-6-methylpyran-2-one
CID 136676786
6-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-2-imino-4-phenyl-4,5-dihydropyrimidine-3-carbonitrile
CID 135482683
ethane;4-hydroxy-1-methyl-3-(1-methyl-1-oxo-4H-2,4,1λ5-benzodiazaphosphinin-3-yl)quinolin-2-one
CID 136599053
3-[(3S)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-hydroxy-1-methylquinolin-2-one
CID 135768068

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(furan-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 3-[(2R)-2-(furan-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-1-methylquinolin-2-one (CID 136829145) is 3-[(2R)-2-(furan-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-[(2R)-2-(furan-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 3-[(2R)-2-(furan-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-1-methylquinolin-2-one is Cn1c(=O)c(C2=Nc3ccccc3N[C@@H](c3ccco3)C2)c(O)c2ccccc21.
What is the InChIKey of 3-[(2R)-2-(furan-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-1-methylquinolin-2-one?
The InChIKey is FLLYTOJUHLUQCZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-26-19-10-5-2-7-14(19)22(27)21(23(26)28)18-13-17(20-11-6-12-29-20)24-15-8-3-4-9-16(15)25-18/h2-12,17,24,27H,13H2,1H3/t17-/m1/s1.
What are the key properties of 3-[(2R)-2-(furan-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-1-methylquinolin-2-one?
3-[(2R)-2-(furan-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-1-methylquinolin-2-one has a molecular weight of 385.42 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(furan-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 136829145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).