4-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline

C19H22N6O — CID 95851916

IUPAC4-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESc1ccc2nc3c(cc2c1)CN(Cc1nnnn1C1CCCC1)CCO3
InChIInChI=1S/C19H22N6O/c1-4-8-17-14(5-1)11-15-12-24(9-10-26-19(15)20-17)13-18-21-22-23-25(18)16-6-2-3-7-16/h1,4-5,8,11,16H,2-3,6-7,9-10,12-13H2
InChIKeyGIWSQLICHDNLNB-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.73
Rot. Bonds3

About 4-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline

4-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (PubChem CID 95851916) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.

Molecular Properties

Compound Name4-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
PubChem CID95851916
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name4-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
SMILESc1ccc2nc3c(cc2c1)CN(Cc1nnnn1C1CCCC1)CCO3
InChIInChI=1S/C19H22N6O/c1-4-8-17-14(5-1)11-15-12-24(9-10-26-19(15)20-17)13-18-21-22-23-25(18)16-6-2-3-7-16/h1,4-5,8,11,16H,2-3,6-7,9-10,12-13H2
InChIKeyGIWSQLICHDNLNB-UHFFFAOYSA-N
XLogP2.73
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The IUPAC name of 4-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline (CID 95851916) is 4-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline.
What is the SMILES notation for 4-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The canonical SMILES for 4-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is c1ccc2nc3c(cc2c1)CN(Cc1nnnn1C1CCCC1)CCO3.
What is the InChIKey of 4-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
The InChIKey is GIWSQLICHDNLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-4-8-17-14(5-1)11-15-12-24(9-10-26-19(15)20-17)13-18-21-22-23-25(18)16-6-2-3-7-16/h1,4-5,8,11,16H,2-3,6-7,9-10,12-13H2.
What are the key properties of 4-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline?
4-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline has a molecular weight of 350.43 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline is sourced from PubChem (CID 95851916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).