[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone

C14H16ClN5O3 — CID 131960710

IUPAC[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CCOC(C)C1
InChIInChI=1S/C14H16ClN5O3/c1-9-7-19(3-4-23-9)14(21)10-5-11(15)12(6-13(10)22-2)20-8-16-17-18-20/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyNQCYHTJVKLHERH-UHFFFAOYSA-N
MW337.77 g/mol
LogP1.19
Rot. Bonds3

About [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone

[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone (PubChem CID 131960710) has the molecular formula C14H16ClN5O3 and a molecular weight of 337.77 g/mol. Its IUPAC name is [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone
PubChem CID131960710
Molecular FormulaC14H16ClN5O3
Molecular Weight337.77 g/mol
Exact Mass337.09
IUPAC Name[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CCOC(C)C1
InChIInChI=1S/C14H16ClN5O3/c1-9-7-19(3-4-23-9)14(21)10-5-11(15)12(6-13(10)22-2)20-8-16-17-18-20/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyNQCYHTJVKLHERH-UHFFFAOYSA-N
XLogP1.19
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 55774799
[4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-cyclobutylmethanone
CID 56512126
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396075
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996324
(4-amino-5-chloro-2-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone;hydrochloride
CID 119698736
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]methanone
CID 120809267
[(2R)-2-methylmorpholin-4-yl]-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone
CID 94022322
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 87000792
5-chloro-2-methoxy-N-[2-[(2R)-oxolan-2-yl]ethyl]-4-(tetrazol-1-yl)benzamide
CID 52512621
5-chloro-2-methoxy-N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(tetrazol-1-yl)benzamide
CID 52512620
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 55791493
4-(5-chloro-4-iodo-2-methoxybenzoyl)morpholine-2-carboxamide
CID 60607210

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone (CID 131960710) is [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone is COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CCOC(C)C1.
What is the InChIKey of [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone?
The InChIKey is NQCYHTJVKLHERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O3/c1-9-7-19(3-4-23-9)14(21)10-5-11(15)12(6-13(10)22-2)20-8-16-17-18-20/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone?
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone has a molecular weight of 337.77 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 131960710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).