2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

C24H18N4O2S — CID 71241948

IUPAC2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCc1nc2ccc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)cc2s1
InChIInChI=1S/C24H18N4O2S/c1-14-28-19-7-6-15(12-23(19)31-14)16-10-20-17(4-2-8-26-20)22(11-16)30-13-21-18(24(25)29)5-3-9-27-21/h2-12H,13H2,1H3,(H2,25,29)
InChIKeyLQRMDLQNUSRQMP-UHFFFAOYSA-N
MW426.50 g/mol
LogP4.89
Rot. Bonds5

About 2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 71241948) has the molecular formula C24H18N4O2S and a molecular weight of 426.50 g/mol. Its IUPAC name is 2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID71241948
Molecular FormulaC24H18N4O2S
Molecular Weight426.50 g/mol
Exact Mass426.12
IUPAC Name2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCc1nc2ccc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)cc2s1
InChIInChI=1S/C24H18N4O2S/c1-14-28-19-7-6-15(12-23(19)31-14)16-10-20-17(4-2-8-26-20)22(11-16)30-13-21-18(24(25)29)5-3-9-27-21/h2-12H,13H2,1H3,(H2,25,29)
InChIKeyLQRMDLQNUSRQMP-UHFFFAOYSA-N
XLogP4.89
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 71241948) is 2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is Cc1nc2ccc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)cc2s1.
What is the InChIKey of 2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is LQRMDLQNUSRQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S/c1-14-28-19-7-6-15(12-23(19)31-14)16-10-20-17(4-2-8-26-20)22(11-16)30-13-21-18(24(25)29)5-3-9-27-21/h2-12H,13H2,1H3,(H2,25,29).
What are the key properties of 2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71241948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).