4-benzyl-5-chlorotetrazolo[1,5-a]quinoline

C16H11ClN4 — CID 2785135

IUPAC4-benzyl-5-chlorotetrazolo[1,5-a]quinoline
SMILESClc1c(Cc2ccccc2)c2nnnn2c2ccccc12
InChIInChI=1S/C16H11ClN4/c17-15-12-8-4-5-9-14(12)21-16(18-19-20-21)13(15)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyNHKNYPBYAJBKDC-UHFFFAOYSA-N
MW294.75 g/mol
LogP3.52
Rot. Bonds2

About 4-benzyl-5-chlorotetrazolo[1,5-a]quinoline

4-benzyl-5-chlorotetrazolo[1,5-a]quinoline (PubChem CID 2785135) has the molecular formula C16H11ClN4 and a molecular weight of 294.75 g/mol. Its IUPAC name is 4-benzyl-5-chlorotetrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name4-benzyl-5-chlorotetrazolo[1,5-a]quinoline
PubChem CID2785135
Molecular FormulaC16H11ClN4
Molecular Weight294.75 g/mol
Exact Mass294.07
IUPAC Name4-benzyl-5-chlorotetrazolo[1,5-a]quinoline
SMILESClc1c(Cc2ccccc2)c2nnnn2c2ccccc12
InChIInChI=1S/C16H11ClN4/c17-15-12-8-4-5-9-14(12)21-16(18-19-20-21)13(15)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyNHKNYPBYAJBKDC-UHFFFAOYSA-N
XLogP3.52
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tetrazolo[1,5-a]quinoline-4,5-diamine
CID 22254489
carbanide;iridium;12H-tetrazolo[1,5-f]phenanthridin-12-ide;yttrium
CID 58162743
(8-chlorotetrazolo[1,5-a]quinolin-4-yl) N-benzylcarbamate
CID 91499350
10-methyl-2,3,4,5,8,9,11-heptazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene
CID 12933159
N-benzyl-3-(4-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine
CID 20874438
4-(4-benzylpiperidin-1-yl)tetrazolo[1,5-a]quinoxaline
CID 3241422
N-(2-phenylethyl)tetrazolo[1,5-a]quinoline-4-carboxamide
CID 34924999
N-[4-(pyridin-4-ylmethyl)phenyl]tetrazolo[1,5-a]quinoxalin-4-amine
CID 166319969
3-benzyl-2-chloro-1H-indole
CID 12605517
1-benzyl-5-chlorotetrazole
CID 46835417
2-[5-(3-chlorophenyl)-4-(4-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetonitrile
CID 90735822
9-benzylxanthen-10-ium
CID 12557009

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-chlorotetrazolo[1,5-a]quinoline?
The IUPAC name of 4-benzyl-5-chlorotetrazolo[1,5-a]quinoline (CID 2785135) is 4-benzyl-5-chlorotetrazolo[1,5-a]quinoline.
What is the SMILES notation for 4-benzyl-5-chlorotetrazolo[1,5-a]quinoline?
The canonical SMILES for 4-benzyl-5-chlorotetrazolo[1,5-a]quinoline is Clc1c(Cc2ccccc2)c2nnnn2c2ccccc12.
What is the InChIKey of 4-benzyl-5-chlorotetrazolo[1,5-a]quinoline?
The InChIKey is NHKNYPBYAJBKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4/c17-15-12-8-4-5-9-14(12)21-16(18-19-20-21)13(15)10-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 4-benzyl-5-chlorotetrazolo[1,5-a]quinoline?
4-benzyl-5-chlorotetrazolo[1,5-a]quinoline has a molecular weight of 294.75 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-chlorotetrazolo[1,5-a]quinoline is sourced from PubChem (CID 2785135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).