(3-chloro-4-methylquinolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate

C19H14ClN5O2 — CID 9405642

IUPAC(3-chloro-4-methylquinolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate
SMILESCc1c(Cl)c(COC(=O)c2cccc(-n3cnnn3)c2)nc2ccccc12
InChIInChI=1S/C19H14ClN5O2/c1-12-15-7-2-3-8-16(15)22-17(18(12)20)10-27-19(26)13-5-4-6-14(9-13)25-11-21-23-24-25/h2-9,11H,10H2,1H3
InChIKeyPPZHHSKGEFBZMK-UHFFFAOYSA-N
MW379.81 g/mol
LogP3.53
Rot. Bonds4

About (3-chloro-4-methylquinolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate

(3-chloro-4-methylquinolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate (PubChem CID 9405642) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is (3-chloro-4-methylquinolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name(3-chloro-4-methylquinolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate
PubChem CID9405642
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC Name(3-chloro-4-methylquinolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate
SMILESCc1c(Cl)c(COC(=O)c2cccc(-n3cnnn3)c2)nc2ccccc12
InChIInChI=1S/C19H14ClN5O2/c1-12-15-7-2-3-8-16(15)22-17(18(12)20)10-27-19(26)13-5-4-6-14(9-13)25-11-21-23-24-25/h2-9,11H,10H2,1H3
InChIKeyPPZHHSKGEFBZMK-UHFFFAOYSA-N
XLogP3.53
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-chlorophenyl)methyl 3-(tetrazol-1-yl)benzoate
CID 41194676
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate
CID 39939448
(2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate
CID 30393199
(3-chloro-4-methylquinolin-2-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 29404651
(4-cyanophenyl)methyl 3-(tetrazol-1-yl)benzoate
CID 41194671
ethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate
CID 41195072
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(tetrazol-1-yl)benzoate
CID 41195211
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(tetrazol-1-yl)benzoate
CID 55730925
2-(2,4-dimethylquinolin-3-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 8852353
[(2R)-1-oxo-1-phenylpropan-2-yl] 3-(tetrazol-1-yl)benzoate
CID 30825028
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 41195394
[2-(4-chloroanilino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 41195036

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylquinolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate?
The IUPAC name of (3-chloro-4-methylquinolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate (CID 9405642) is (3-chloro-4-methylquinolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate.
What is the SMILES notation for (3-chloro-4-methylquinolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate?
The canonical SMILES for (3-chloro-4-methylquinolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate is Cc1c(Cl)c(COC(=O)c2cccc(-n3cnnn3)c2)nc2ccccc12.
What is the InChIKey of (3-chloro-4-methylquinolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate?
The InChIKey is PPZHHSKGEFBZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c1-12-15-7-2-3-8-16(15)22-17(18(12)20)10-27-19(26)13-5-4-6-14(9-13)25-11-21-23-24-25/h2-9,11H,10H2,1H3.
What are the key properties of (3-chloro-4-methylquinolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate?
(3-chloro-4-methylquinolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate has a molecular weight of 379.81 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylquinolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 9405642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).