(4-ethyltetrazolo[1,5-a]quinolin-7-yl)-(4-methoxycyclohexyl)methanone

C19H22N4O2 — CID 11382171

IUPAC(4-ethyltetrazolo[1,5-a]quinolin-7-yl)-(4-methoxycyclohexyl)methanone
SMILESCCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2n2nnnc12
InChIInChI=1S/C19H22N4O2/c1-3-12-10-15-11-14(6-9-17(15)23-19(12)20-21-22-23)18(24)13-4-7-16(25-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3
InChIKeyOVXBJBCMDXBJRI-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.23
Rot. Bonds4

About (4-ethyltetrazolo[1,5-a]quinolin-7-yl)-(4-methoxycyclohexyl)methanone

(4-ethyltetrazolo[1,5-a]quinolin-7-yl)-(4-methoxycyclohexyl)methanone (PubChem CID 11382171) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (4-ethyltetrazolo[1,5-a]quinolin-7-yl)-(4-methoxycyclohexyl)methanone.

Molecular Properties

Compound Name(4-ethyltetrazolo[1,5-a]quinolin-7-yl)-(4-methoxycyclohexyl)methanone
PubChem CID11382171
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(4-ethyltetrazolo[1,5-a]quinolin-7-yl)-(4-methoxycyclohexyl)methanone
SMILESCCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2n2nnnc12
InChIInChI=1S/C19H22N4O2/c1-3-12-10-15-11-14(6-9-17(15)23-19(12)20-21-22-23)18(24)13-4-7-16(25-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3
InChIKeyOVXBJBCMDXBJRI-UHFFFAOYSA-N
XLogP3.23
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 155535108
CID 155535108
CID 155556097
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CID 155568651
CID 155568651
CID 68586936
CID 68586936
CID 15472219
CID 15472219
CID 15472220
CID 15472220
CID 45276614
CID 45276614
CID 49845774
CID 49845774

Frequently Asked Questions

What is the IUPAC name of (4-ethyltetrazolo[1,5-a]quinolin-7-yl)-(4-methoxycyclohexyl)methanone?
The IUPAC name of (4-ethyltetrazolo[1,5-a]quinolin-7-yl)-(4-methoxycyclohexyl)methanone (CID 11382171) is (4-ethyltetrazolo[1,5-a]quinolin-7-yl)-(4-methoxycyclohexyl)methanone.
What is the SMILES notation for (4-ethyltetrazolo[1,5-a]quinolin-7-yl)-(4-methoxycyclohexyl)methanone?
The canonical SMILES for (4-ethyltetrazolo[1,5-a]quinolin-7-yl)-(4-methoxycyclohexyl)methanone is CCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2n2nnnc12.
What is the InChIKey of (4-ethyltetrazolo[1,5-a]quinolin-7-yl)-(4-methoxycyclohexyl)methanone?
The InChIKey is OVXBJBCMDXBJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-3-12-10-15-11-14(6-9-17(15)23-19(12)20-21-22-23)18(24)13-4-7-16(25-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3.
What are the key properties of (4-ethyltetrazolo[1,5-a]quinolin-7-yl)-(4-methoxycyclohexyl)methanone?
(4-ethyltetrazolo[1,5-a]quinolin-7-yl)-(4-methoxycyclohexyl)methanone has a molecular weight of 338.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyltetrazolo[1,5-a]quinolin-7-yl)-(4-methoxycyclohexyl)methanone is sourced from PubChem (CID 11382171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).