ethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one

C21H22N2O2 — CID 166457788

IUPACethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one
SMILESCC.O=C1CCc2cc(Cc3cc4ccccc4[nH]c3=O)ccc2N1
InChIInChI=1S/C19H16N2O2.C2H6/c22-18-8-6-14-9-12(5-7-17(14)20-18)10-15-11-13-3-1-2-4-16(13)21-19(15)23;1-2/h1-5,7,9,11H,6,8,10H2,(H,20,22)(H,21,23);1-2H3
InChIKeyCMNOLXCQKMIVGI-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.03
Rot. Bonds2

About ethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one

ethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one (PubChem CID 166457788) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is ethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Nameethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one
PubChem CID166457788
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Nameethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one
SMILESCC.O=C1CCc2cc(Cc3cc4ccccc4[nH]c3=O)ccc2N1
InChIInChI=1S/C19H16N2O2.C2H6/c22-18-8-6-14-9-12(5-7-17(14)20-18)10-15-11-13-3-1-2-4-16(13)21-19(15)23;1-2/h1-5,7,9,11H,6,8,10H2,(H,20,22)(H,21,23);1-2H3
InChIKeyCMNOLXCQKMIVGI-UHFFFAOYSA-N
XLogP4.03
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of ethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one (CID 166457788) is ethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for ethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for ethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one is CC.O=C1CCc2cc(Cc3cc4ccccc4[nH]c3=O)ccc2N1.
What is the InChIKey of ethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one?
The InChIKey is CMNOLXCQKMIVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2.C2H6/c22-18-8-6-14-9-12(5-7-17(14)20-18)10-15-11-13-3-1-2-4-16(13)21-19(15)23;1-2/h1-5,7,9,11H,6,8,10H2,(H,20,22)(H,21,23);1-2H3.
What are the key properties of ethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one?
ethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one has a molecular weight of 334.42 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 166457788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).