6-[3-(1-methyltetrazol-5-yl)propoxy]-1H-quinolin-2-one

C14H15N5O2 — CID 23454092

IUPAC6-[3-(1-methyltetrazol-5-yl)propoxy]-1H-quinolin-2-one
SMILESCn1nnnc1CCCOc1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C14H15N5O2/c1-19-13(16-17-18-19)3-2-8-21-11-5-6-12-10(9-11)4-7-14(20)15-12/h4-7,9H,2-3,8H2,1H3,(H,15,20)
InChIKeyDHAFVVYBYITDEM-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.06
Rot. Bonds5

About 6-[3-(1-methyltetrazol-5-yl)propoxy]-1H-quinolin-2-one

6-[3-(1-methyltetrazol-5-yl)propoxy]-1H-quinolin-2-one (PubChem CID 23454092) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 6-[3-(1-methyltetrazol-5-yl)propoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-(1-methyltetrazol-5-yl)propoxy]-1H-quinolin-2-one
PubChem CID23454092
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name6-[3-(1-methyltetrazol-5-yl)propoxy]-1H-quinolin-2-one
SMILESCn1nnnc1CCCOc1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C14H15N5O2/c1-19-13(16-17-18-19)3-2-8-21-11-5-6-12-10(9-11)4-7-14(20)15-12/h4-7,9H,2-3,8H2,1H3,(H,15,20)
InChIKeyDHAFVVYBYITDEM-UHFFFAOYSA-N
XLogP1.06
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[3-[1-(2-phenylethyl)tetrazol-5-yl]propoxy]-1H-quinolin-2-one
CID 23454021
6-(2-chloroethoxy)-1H-quinolin-2-one
CID 20540025
1,2-dichlorobenzene;6-(4-sulfinylbutoxy)-1H-quinolin-2-one
CID 88706822
1,4-dichlorobenzene;6-(4-sulfonylbutoxy)-1H-quinolin-2-one
CID 88753238
ethane;7-pentoxy-1H-quinolin-2-one
CID 144829550
6-(cyclopropylmethoxy)-1H-quinolin-2-one
CID 68861342
6-(4-pyridin-2-ylsulfonylbutoxy)-1H-quinolin-2-one
CID 22901634
7-[4-(4-methylpiperazin-1-yl)butoxy]-1H-quinolin-2-one
CID 172693991
N-cyclopropyl-N-ethyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
CID 13112648
6-[3-(4-acetyl-4-phenylpiperidin-1-yl)propoxy]-1H-quinolin-2-one
CID 13363014
7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one
CID 175845391
6-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1H-quinolin-2-one
CID 89489488

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-methyltetrazol-5-yl)propoxy]-1H-quinolin-2-one?
The IUPAC name of 6-[3-(1-methyltetrazol-5-yl)propoxy]-1H-quinolin-2-one (CID 23454092) is 6-[3-(1-methyltetrazol-5-yl)propoxy]-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-(1-methyltetrazol-5-yl)propoxy]-1H-quinolin-2-one?
The canonical SMILES for 6-[3-(1-methyltetrazol-5-yl)propoxy]-1H-quinolin-2-one is Cn1nnnc1CCCOc1ccc2[nH]c(=O)ccc2c1.
What is the InChIKey of 6-[3-(1-methyltetrazol-5-yl)propoxy]-1H-quinolin-2-one?
The InChIKey is DHAFVVYBYITDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-19-13(16-17-18-19)3-2-8-21-11-5-6-12-10(9-11)4-7-14(20)15-12/h4-7,9H,2-3,8H2,1H3,(H,15,20).
What are the key properties of 6-[3-(1-methyltetrazol-5-yl)propoxy]-1H-quinolin-2-one?
6-[3-(1-methyltetrazol-5-yl)propoxy]-1H-quinolin-2-one has a molecular weight of 285.31 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-methyltetrazol-5-yl)propoxy]-1H-quinolin-2-one is sourced from PubChem (CID 23454092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).