(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-propylthiadiazol-5-yl)methanone

C15H18N4OS — CID 65205924

IUPAC(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCCc2ccc(N)cc21
InChIInChI=1S/C15H18N4OS/c1-2-4-12-14(21-18-17-12)15(20)19-8-3-5-10-6-7-11(16)9-13(10)19/h6-7,9H,2-5,8,16H2,1H3
InChIKeyDXUOZRXTXRJEJB-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.67
Rot. Bonds3

About (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-propylthiadiazol-5-yl)methanone

(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-propylthiadiazol-5-yl)methanone (PubChem CID 65205924) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-propylthiadiazol-5-yl)methanone
PubChem CID65205924
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCCc2ccc(N)cc21
InChIInChI=1S/C15H18N4OS/c1-2-4-12-14(21-18-17-12)15(20)19-8-3-5-10-6-7-11(16)9-13(10)19/h6-7,9H,2-5,8,16H2,1H3
InChIKeyDXUOZRXTXRJEJB-UHFFFAOYSA-N
XLogP2.67
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(6-amino-2,3-dihydroindol-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone
CID 65205964
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 28707153
ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 62265682
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 62266900
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylthiadiazol-5-yl)methanone
CID 83213348
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107687651
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62265851
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone
CID 62266897
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 28707170
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-hydroxyphenyl)methanone
CID 62266720
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one
CID 55091829
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 62266898

Frequently Asked Questions

What is the IUPAC name of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-propylthiadiazol-5-yl)methanone (CID 65205924) is (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCCc2ccc(N)cc21.
What is the InChIKey of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is DXUOZRXTXRJEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-2-4-12-14(21-18-17-12)15(20)19-8-3-5-10-6-7-11(16)9-13(10)19/h6-7,9H,2-5,8,16H2,1H3.
What are the key properties of (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 302.40 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 65205924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).