2-[5-(3-chlorophenyl)-4-(4-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetonitrile

C23H13Cl2N5 — CID 90735822

IUPAC2-[5-(3-chlorophenyl)-4-(4-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetonitrile
SMILESN#CCc1ccc2c(c1)c(-c1cccc(Cl)c1)c(-c1ccc(Cl)cc1)c1nnnn12
InChIInChI=1S/C23H13Cl2N5/c24-17-7-5-15(6-8-17)22-21(16-2-1-3-18(25)13-16)19-12-14(10-11-26)4-9-20(19)30-23(22)27-28-29-30/h1-9,12-13H,10H2
InChIKeyHHBQTSNRUQDKGH-UHFFFAOYSA-N
MW430.30 g/mol
LogP5.98
Rot. Bonds3

About 2-[5-(3-chlorophenyl)-4-(4-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetonitrile

2-[5-(3-chlorophenyl)-4-(4-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetonitrile (PubChem CID 90735822) has the molecular formula C23H13Cl2N5 and a molecular weight of 430.30 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)-4-(4-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)-4-(4-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetonitrile
PubChem CID90735822
Molecular FormulaC23H13Cl2N5
Molecular Weight430.30 g/mol
Exact Mass429.05
IUPAC Name2-[5-(3-chlorophenyl)-4-(4-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetonitrile
SMILESN#CCc1ccc2c(c1)c(-c1cccc(Cl)c1)c(-c1ccc(Cl)cc1)c1nnnn12
InChIInChI=1S/C23H13Cl2N5/c24-17-7-5-15(6-8-17)22-21(16-2-1-3-18(25)13-16)19-12-14(10-11-26)4-9-20(19)30-23(22)27-28-29-30/h1-9,12-13H,10H2
InChIKeyHHBQTSNRUQDKGH-UHFFFAOYSA-N
XLogP5.98
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.30
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-chlorophenyl)phenyl]acetonitrile
CID 22371480
5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinolin-4-amine
CID 69359188
7-(3-chlorophenyl)tetrazolo[1,5-a]quinoline-4-carboxylic acid
CID 90489618
N-[(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]hydroxylamine
CID 23388867
4-benzyl-5-chlorotetrazolo[1,5-a]quinoline
CID 2785135
2-(5-chlorobenzotriazol-2-yl)acetonitrile
CID 83968956
2-[4-fluoro-3-(2,3,4,5,6-pentachlorophenyl)phenyl]acetonitrile
CID 134631147
2-[3-chloro-5-(4-chloro-3-fluorophenyl)phenyl]acetonitrile
CID 175670067
2-[4-fluoro-3-(3-methylphenyl)phenyl]acetonitrile
CID 171396152
N-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine
CID 51365982
3-(3-chlorophenyl)-N-[(4-ethylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
CID 51365961
5-amino-7-chlorotriazolo[1,5-a]quinazoline-3-carbonitrile
CID 134113553

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)-4-(4-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetonitrile?
The IUPAC name of 2-[5-(3-chlorophenyl)-4-(4-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetonitrile (CID 90735822) is 2-[5-(3-chlorophenyl)-4-(4-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetonitrile.
What is the SMILES notation for 2-[5-(3-chlorophenyl)-4-(4-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetonitrile?
The canonical SMILES for 2-[5-(3-chlorophenyl)-4-(4-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetonitrile is N#CCc1ccc2c(c1)c(-c1cccc(Cl)c1)c(-c1ccc(Cl)cc1)c1nnnn12.
What is the InChIKey of 2-[5-(3-chlorophenyl)-4-(4-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetonitrile?
The InChIKey is HHBQTSNRUQDKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl2N5/c24-17-7-5-15(6-8-17)22-21(16-2-1-3-18(25)13-16)19-12-14(10-11-26)4-9-20(19)30-23(22)27-28-29-30/h1-9,12-13H,10H2.
What are the key properties of 2-[5-(3-chlorophenyl)-4-(4-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetonitrile?
2-[5-(3-chlorophenyl)-4-(4-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetonitrile has a molecular weight of 430.30 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)-4-(4-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]acetonitrile is sourced from PubChem (CID 90735822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).