7-[(1-benzyltetrazol-5-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one

C18H17N5O2 — CID 12941284

IUPAC7-[(1-benzyltetrazol-5-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCc3nnnn3Cc3ccccc3)cc2N1
InChIInChI=1S/C18H17N5O2/c24-18-9-7-14-6-8-15(10-16(14)19-18)25-12-17-20-21-22-23(17)11-13-4-2-1-3-5-13/h1-6,8,10H,7,9,11-12H2,(H,19,24)
InChIKeySESCXDOMMPMVGH-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.19
Rot. Bonds5

About 7-[(1-benzyltetrazol-5-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one

7-[(1-benzyltetrazol-5-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 12941284) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 7-[(1-benzyltetrazol-5-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[(1-benzyltetrazol-5-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID12941284
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name7-[(1-benzyltetrazol-5-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCc3nnnn3Cc3ccccc3)cc2N1
InChIInChI=1S/C18H17N5O2/c24-18-9-7-14-6-8-15(10-16(14)19-18)25-12-17-20-21-22-23(17)11-13-4-2-1-3-5-13/h1-6,8,10H,7,9,11-12H2,(H,19,24)
InChIKeySESCXDOMMPMVGH-UHFFFAOYSA-N
XLogP2.19
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(4-ethylphenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940161
5-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid
CID 114939878
7-[(3-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940176
7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940207
7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940155
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile
CID 114940048
7-[[4-(quinazolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 54296306
7-[2-(2-oxo-1-pyridinyl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940102
(2-oxo-3,4-dihydro-1H-quinolin-7-yl) benzenesulfonate
CID 131868830
7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one
CID 66885925
7-[(4-bromothiophen-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114939999
6-[(3-chlorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 47420565

Frequently Asked Questions

What is the IUPAC name of 7-[(1-benzyltetrazol-5-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[(1-benzyltetrazol-5-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one (CID 12941284) is 7-[(1-benzyltetrazol-5-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[(1-benzyltetrazol-5-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[(1-benzyltetrazol-5-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(OCc3nnnn3Cc3ccccc3)cc2N1.
What is the InChIKey of 7-[(1-benzyltetrazol-5-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SESCXDOMMPMVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-18-9-7-14-6-8-15(10-16(14)19-18)25-12-17-20-21-22-23(17)11-13-4-2-1-3-5-13/h1-6,8,10H,7,9,11-12H2,(H,19,24).
What are the key properties of 7-[(1-benzyltetrazol-5-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[(1-benzyltetrazol-5-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 335.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-benzyltetrazol-5-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 12941284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).