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

C24H16Cl2N6OS — CID 10300971

IUPAC[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1ccc(Cl)s1
InChIInChI=1S/C24H16Cl2N6OS/c1-31-13-27-12-20(31)24(33,21-7-8-22(26)34-21)15-5-6-19-18(10-15)17(11-23-28-29-30-32(19)23)14-3-2-4-16(25)9-14/h2-13,33H,1H3
InChIKeySWSQBGANHXJXNS-UHFFFAOYSA-N
MW507.41 g/mol
LogP5.33
Rot. Bonds4

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

[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanol (PubChem CID 10300971) has the molecular formula C24H16Cl2N6OS and a molecular weight of 507.41 g/mol. Its IUPAC name is [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanol
PubChem CID10300971
Molecular FormulaC24H16Cl2N6OS
Molecular Weight507.41 g/mol
Exact Mass506.05
IUPAC Name[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1ccc(Cl)s1
InChIInChI=1S/C24H16Cl2N6OS/c1-31-13-27-12-20(31)24(33,21-7-8-22(26)34-21)15-5-6-19-18(10-15)17(11-23-28-29-30-32(19)23)14-3-2-4-16(25)9-14/h2-13,33H,1H3
InChIKeySWSQBGANHXJXNS-UHFFFAOYSA-N
XLogP5.33
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.41
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanol?
The IUPAC name of [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanol (CID 10300971) is [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanol is Cn1cncc1C(O)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1ccc(Cl)s1.
What is the InChIKey of [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanol?
The InChIKey is SWSQBGANHXJXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N6OS/c1-31-13-27-12-20(31)24(33,21-7-8-22(26)34-21)15-5-6-19-18(10-15)17(11-23-28-29-30-32(19)23)14-3-2-4-16(25)9-14/h2-13,33H,1H3.
What are the key properties of [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanol?
[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 507.41 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 10300971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).