2-cyclopropyl-N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N-methylquinoline-4-carboxamide

C23H19N3O2S — CID 16668898

IUPAC2-cyclopropyl-N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N-methylquinoline-4-carboxamide
SMILESCN(C(=O)c1cc(C2CC2)nc2ccccc12)c1nc2c(s1)CCc1occc1-2
InChIInChI=1S/C23H19N3O2S/c1-26(23-25-21-15-10-11-28-19(15)8-9-20(21)29-23)22(27)16-12-18(13-6-7-13)24-17-5-3-2-4-14(16)17/h2-5,10-13H,6-9H2,1H3
InChIKeyOBXPZWCCTPLMAI-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.20
Rot. Bonds3

About 2-cyclopropyl-N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N-methylquinoline-4-carboxamide

2-cyclopropyl-N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N-methylquinoline-4-carboxamide (PubChem CID 16668898) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-cyclopropyl-N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N-methylquinoline-4-carboxamide
PubChem CID16668898
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC Name2-cyclopropyl-N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N-methylquinoline-4-carboxamide
SMILESCN(C(=O)c1cc(C2CC2)nc2ccccc12)c1nc2c(s1)CCc1occc1-2
InChIInChI=1S/C23H19N3O2S/c1-26(23-25-21-15-10-11-28-19(15)8-9-20(21)29-23)22(27)16-12-18(13-6-7-13)24-17-5-3-2-4-14(16)17/h2-5,10-13H,6-9H2,1H3
InChIKeyOBXPZWCCTPLMAI-UHFFFAOYSA-N
XLogP5.20
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N-methylquinoline-4-carboxamide (CID 16668898) is 2-cyclopropyl-N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N-methylquinoline-4-carboxamide is CN(C(=O)c1cc(C2CC2)nc2ccccc12)c1nc2c(s1)CCc1occc1-2.
What is the InChIKey of 2-cyclopropyl-N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N-methylquinoline-4-carboxamide?
The InChIKey is OBXPZWCCTPLMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-26(23-25-21-15-10-11-28-19(15)8-9-20(21)29-23)22(27)16-12-18(13-6-7-13)24-17-5-3-2-4-14(16)17/h2-5,10-13H,6-9H2,1H3.
What are the key properties of 2-cyclopropyl-N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N-methylquinoline-4-carboxamide?
2-cyclopropyl-N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N-methylquinoline-4-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 16668898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).