6-chloro-4-phenyl-3-(1-phenyltetrazol-5-yl)quinoline

C22H14ClN5 — CID 1046836

IUPAC6-chloro-4-phenyl-3-(1-phenyltetrazol-5-yl)quinoline
SMILESClc1ccc2ncc(-c3nnnn3-c3ccccc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C22H14ClN5/c23-16-11-12-20-18(13-16)21(15-7-3-1-4-8-15)19(14-24-20)22-25-26-27-28(22)17-9-5-2-6-10-17/h1-14H
InChIKeyQCPYMEACPSNFNB-UHFFFAOYSA-N
MW383.84 g/mol
LogP5.20
Rot. Bonds3

About 6-chloro-4-phenyl-3-(1-phenyltetrazol-5-yl)quinoline

6-chloro-4-phenyl-3-(1-phenyltetrazol-5-yl)quinoline (PubChem CID 1046836) has the molecular formula C22H14ClN5 and a molecular weight of 383.84 g/mol. Its IUPAC name is 6-chloro-4-phenyl-3-(1-phenyltetrazol-5-yl)quinoline.

Molecular Properties

Compound Name6-chloro-4-phenyl-3-(1-phenyltetrazol-5-yl)quinoline
PubChem CID1046836
Molecular FormulaC22H14ClN5
Molecular Weight383.84 g/mol
Exact Mass383.09
IUPAC Name6-chloro-4-phenyl-3-(1-phenyltetrazol-5-yl)quinoline
SMILESClc1ccc2ncc(-c3nnnn3-c3ccccc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C22H14ClN5/c23-16-11-12-20-18(13-16)21(15-7-3-1-4-8-15)19(14-24-20)22-25-26-27-28(22)17-9-5-2-6-10-17/h1-14H
InChIKeyQCPYMEACPSNFNB-UHFFFAOYSA-N
XLogP5.20
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.84
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-3-(1-phenyltetrazol-5-yl)quinoline?
The IUPAC name of 6-chloro-4-phenyl-3-(1-phenyltetrazol-5-yl)quinoline (CID 1046836) is 6-chloro-4-phenyl-3-(1-phenyltetrazol-5-yl)quinoline.
What is the SMILES notation for 6-chloro-4-phenyl-3-(1-phenyltetrazol-5-yl)quinoline?
The canonical SMILES for 6-chloro-4-phenyl-3-(1-phenyltetrazol-5-yl)quinoline is Clc1ccc2ncc(-c3nnnn3-c3ccccc3)c(-c3ccccc3)c2c1.
What is the InChIKey of 6-chloro-4-phenyl-3-(1-phenyltetrazol-5-yl)quinoline?
The InChIKey is QCPYMEACPSNFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN5/c23-16-11-12-20-18(13-16)21(15-7-3-1-4-8-15)19(14-24-20)22-25-26-27-28(22)17-9-5-2-6-10-17/h1-14H.
What are the key properties of 6-chloro-4-phenyl-3-(1-phenyltetrazol-5-yl)quinoline?
6-chloro-4-phenyl-3-(1-phenyltetrazol-5-yl)quinoline has a molecular weight of 383.84 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-3-(1-phenyltetrazol-5-yl)quinoline is sourced from PubChem (CID 1046836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).