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

C24H17Cl2N7S — CID 10300927

IUPAC[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine
SMILESCn1cncc1C(N)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1ccc(Cl)s1
InChIInChI=1S/C24H17Cl2N7S/c1-32-13-28-12-20(32)24(27,21-7-8-22(26)34-21)15-5-6-19-18(10-15)17(11-23-29-30-31-33(19)23)14-3-2-4-16(25)9-14/h2-13H,27H2,1H3
InChIKeyIIHIZGGPGJNYCS-UHFFFAOYSA-N
MW506.42 g/mol
LogP5.30
Rot. Bonds4

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

[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine (PubChem CID 10300927) has the molecular formula C24H17Cl2N7S and a molecular weight of 506.42 g/mol. Its IUPAC name is [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine
PubChem CID10300927
Molecular FormulaC24H17Cl2N7S
Molecular Weight506.42 g/mol
Exact Mass505.06
IUPAC Name[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine
SMILESCn1cncc1C(N)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1ccc(Cl)s1
InChIInChI=1S/C24H17Cl2N7S/c1-32-13-28-12-20(32)24(27,21-7-8-22(26)34-21)15-5-6-19-18(10-15)17(11-23-29-30-31-33(19)23)14-3-2-4-16(25)9-14/h2-13H,27H2,1H3
InChIKeyIIHIZGGPGJNYCS-UHFFFAOYSA-N
XLogP5.30
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.42
LogP ≤ 55.30
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)methanamine?
The IUPAC name of [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine (CID 10300927) is [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine.
What is the SMILES notation for [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine?
The canonical SMILES for [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine is Cn1cncc1C(N)(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)methanamine?
The InChIKey is IIHIZGGPGJNYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N7S/c1-32-13-28-12-20(32)24(27,21-7-8-22(26)34-21)15-5-6-19-18(10-15)17(11-23-29-30-31-33(19)23)14-3-2-4-16(25)9-14/h2-13H,27H2,1H3.
What are the key properties of [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine?
[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine has a molecular weight of 506.42 g/mol, XLogP of 5.30, 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)methanamine is sourced from PubChem (CID 10300927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).