3-(2H-tetrazol-5-yl)-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one

C14H13N5O — CID 136609977

IUPAC3-(2H-tetrazol-5-yl)-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one
SMILESO=c1c(-c2nn[nH]n2)c[nH]c2c3c(ccc12)CCCC3
InChIInChI=1S/C14H13N5O/c20-13-10-6-5-8-3-1-2-4-9(8)12(10)15-7-11(13)14-16-18-19-17-14/h5-7H,1-4H2,(H,15,20)(H,16,17,18,19)
InChIKeyJOMNHAKLRFXBHN-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.59
Rot. Bonds1

About 3-(2H-tetrazol-5-yl)-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one

3-(2H-tetrazol-5-yl)-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one (PubChem CID 136609977) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-yl)-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one.

Molecular Properties

Compound Name3-(2H-tetrazol-5-yl)-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one
PubChem CID136609977
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name3-(2H-tetrazol-5-yl)-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one
SMILESO=c1c(-c2nn[nH]n2)c[nH]c2c3c(ccc12)CCCC3
InChIInChI=1S/C14H13N5O/c20-13-10-6-5-8-3-1-2-4-9(8)12(10)15-7-11(13)14-16-18-19-17-14/h5-7H,1-4H2,(H,15,20)(H,16,17,18,19)
InChIKeyJOMNHAKLRFXBHN-UHFFFAOYSA-N
XLogP1.59
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-yl)-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one?
The IUPAC name of 3-(2H-tetrazol-5-yl)-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one (CID 136609977) is 3-(2H-tetrazol-5-yl)-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one.
What is the SMILES notation for 3-(2H-tetrazol-5-yl)-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one?
The canonical SMILES for 3-(2H-tetrazol-5-yl)-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one is O=c1c(-c2nn[nH]n2)c[nH]c2c3c(ccc12)CCCC3.
What is the InChIKey of 3-(2H-tetrazol-5-yl)-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one?
The InChIKey is JOMNHAKLRFXBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c20-13-10-6-5-8-3-1-2-4-9(8)12(10)15-7-11(13)14-16-18-19-17-14/h5-7H,1-4H2,(H,15,20)(H,16,17,18,19).
What are the key properties of 3-(2H-tetrazol-5-yl)-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one?
3-(2H-tetrazol-5-yl)-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one has a molecular weight of 267.29 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-yl)-7,8,9,10-tetrahydro-1H-benzo[h]quinolin-4-one is sourced from PubChem (CID 136609977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).