(2-amino-1,3-benzothiazol-6-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

C17H15N3OS — CID 110451226

IUPAC(2-amino-1,3-benzothiazol-6-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESNc1nc2ccc(C(=O)N3CCCc4ccccc43)cc2s1
InChIInChI=1S/C17H15N3OS/c18-17-19-13-8-7-12(10-15(13)22-17)16(21)20-9-3-5-11-4-1-2-6-14(11)20/h1-2,4,6-8,10H,3,5,9H2,(H2,18,19)
InChIKeyBKQZEBLAACIPDJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.47
Rot. Bonds1

About (2-amino-1,3-benzothiazol-6-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

(2-amino-1,3-benzothiazol-6-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 110451226) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is (2-amino-1,3-benzothiazol-6-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-1,3-benzothiazol-6-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID110451226
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name(2-amino-1,3-benzothiazol-6-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESNc1nc2ccc(C(=O)N3CCCc4ccccc43)cc2s1
InChIInChI=1S/C17H15N3OS/c18-17-19-13-8-7-12(10-15(13)22-17)16(21)20-9-3-5-11-4-1-2-6-14(11)20/h1-2,4,6-8,10H,3,5,9H2,(H2,18,19)
InChIKeyBKQZEBLAACIPDJ-UHFFFAOYSA-N
XLogP3.47
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
(3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 23120300
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
(4-aminophenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10587836
(2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride
CID 75366132
(3-amino-4-isocyanophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 58794290
3,4-dihydro-2H-quinolin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 7465273
2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl-(2-amino-1,3-benzothiazol-6-yl)methanone
CID 76744261
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
(2-amino-1,3-benzothiazol-6-yl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220608

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-benzothiazol-6-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2-amino-1,3-benzothiazol-6-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 110451226) is (2-amino-1,3-benzothiazol-6-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2-amino-1,3-benzothiazol-6-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2-amino-1,3-benzothiazol-6-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is Nc1nc2ccc(C(=O)N3CCCc4ccccc43)cc2s1.
What is the InChIKey of (2-amino-1,3-benzothiazol-6-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is BKQZEBLAACIPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c18-17-19-13-8-7-12(10-15(13)22-17)16(21)20-9-3-5-11-4-1-2-6-14(11)20/h1-2,4,6-8,10H,3,5,9H2,(H2,18,19).
What are the key properties of (2-amino-1,3-benzothiazol-6-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(2-amino-1,3-benzothiazol-6-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 309.39 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-benzothiazol-6-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 110451226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).