7-chloro-5-[2-(4-methylphenyl)-2-oxoethyl]tetrazolo[1,5-a]quinoline-4-carbonitrile

C19H12ClN5O — CID 102054862

IUPAC7-chloro-5-[2-(4-methylphenyl)-2-oxoethyl]tetrazolo[1,5-a]quinoline-4-carbonitrile
SMILESCc1ccc(C(=O)Cc2c(C#N)c3nnnn3c3ccc(Cl)cc23)cc1
InChIInChI=1S/C19H12ClN5O/c1-11-2-4-12(5-3-11)18(26)9-14-15-8-13(20)6-7-17(15)25-19(16(14)10-21)22-23-24-25/h2-8H,9H2,1H3
InChIKeyGEFKKNZGNKWLQG-UHFFFAOYSA-N
MW361.79 g/mol
LogP3.54
Rot. Bonds3

About 7-chloro-5-[2-(4-methylphenyl)-2-oxoethyl]tetrazolo[1,5-a]quinoline-4-carbonitrile

7-chloro-5-[2-(4-methylphenyl)-2-oxoethyl]tetrazolo[1,5-a]quinoline-4-carbonitrile (PubChem CID 102054862) has the molecular formula C19H12ClN5O and a molecular weight of 361.79 g/mol. Its IUPAC name is 7-chloro-5-[2-(4-methylphenyl)-2-oxoethyl]tetrazolo[1,5-a]quinoline-4-carbonitrile.

Molecular Properties

Compound Name7-chloro-5-[2-(4-methylphenyl)-2-oxoethyl]tetrazolo[1,5-a]quinoline-4-carbonitrile
PubChem CID102054862
Molecular FormulaC19H12ClN5O
Molecular Weight361.79 g/mol
Exact Mass361.07
IUPAC Name7-chloro-5-[2-(4-methylphenyl)-2-oxoethyl]tetrazolo[1,5-a]quinoline-4-carbonitrile
SMILESCc1ccc(C(=O)Cc2c(C#N)c3nnnn3c3ccc(Cl)cc23)cc1
InChIInChI=1S/C19H12ClN5O/c1-11-2-4-12(5-3-11)18(26)9-14-15-8-13(20)6-7-17(15)25-19(16(14)10-21)22-23-24-25/h2-8H,9H2,1H3
InChIKeyGEFKKNZGNKWLQG-UHFFFAOYSA-N
XLogP3.54
TPSA83.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(3-chlorophenyl)-4-(4-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetonitrile
CID 90735822
5-[2-(4-chlorophenyl)acetyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 19117970
1-(4-chlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2615952
5-amino-7-chlorotriazolo[1,5-a]quinazoline-3-carbonitrile
CID 134113553
2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 3088163
1-(4-methylphenyl)-2-[2,3,5-trihydroxy-7-methyl-6-[1,6,7-trihydroxy-3-methyl-5-[2-(4-methylphenyl)-2-oxoethyl]naphthalen-2-yl]naphthalen-1-yl]ethanone
CID 90792401
(8-chlorotetrazolo[1,5-a]quinolin-4-yl)-ethylcarbamic acid
CID 69329141
(4-ethyltetrazolo[1,5-a]quinolin-7-yl)-(4-methoxycyclohexyl)methanone
CID 11382171
1-[(1-butyltetrazol-5-yl)methyl]-5-chloroindazole-3-carbonitrile
CID 56782023
N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684
2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide
CID 44609048
2-benzoyl-5-chloro-1-hydroxyindole-3-carbonitrile
CID 19895716

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[2-(4-methylphenyl)-2-oxoethyl]tetrazolo[1,5-a]quinoline-4-carbonitrile?
The IUPAC name of 7-chloro-5-[2-(4-methylphenyl)-2-oxoethyl]tetrazolo[1,5-a]quinoline-4-carbonitrile (CID 102054862) is 7-chloro-5-[2-(4-methylphenyl)-2-oxoethyl]tetrazolo[1,5-a]quinoline-4-carbonitrile.
What is the SMILES notation for 7-chloro-5-[2-(4-methylphenyl)-2-oxoethyl]tetrazolo[1,5-a]quinoline-4-carbonitrile?
The canonical SMILES for 7-chloro-5-[2-(4-methylphenyl)-2-oxoethyl]tetrazolo[1,5-a]quinoline-4-carbonitrile is Cc1ccc(C(=O)Cc2c(C#N)c3nnnn3c3ccc(Cl)cc23)cc1.
What is the InChIKey of 7-chloro-5-[2-(4-methylphenyl)-2-oxoethyl]tetrazolo[1,5-a]quinoline-4-carbonitrile?
The InChIKey is GEFKKNZGNKWLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN5O/c1-11-2-4-12(5-3-11)18(26)9-14-15-8-13(20)6-7-17(15)25-19(16(14)10-21)22-23-24-25/h2-8H,9H2,1H3.
What are the key properties of 7-chloro-5-[2-(4-methylphenyl)-2-oxoethyl]tetrazolo[1,5-a]quinoline-4-carbonitrile?
7-chloro-5-[2-(4-methylphenyl)-2-oxoethyl]tetrazolo[1,5-a]quinoline-4-carbonitrile has a molecular weight of 361.79 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[2-(4-methylphenyl)-2-oxoethyl]tetrazolo[1,5-a]quinoline-4-carbonitrile is sourced from PubChem (CID 102054862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).