(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone

C19H17N3OS — CID 99716081

IUPAC(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1csc(-c2ccncc2)n1
InChIInChI=1S/C19H17N3OS/c1-13-4-5-17-15(11-13)3-2-10-22(17)19(23)16-12-24-18(21-16)14-6-8-20-9-7-14/h4-9,11-12H,2-3,10H2,1H3
InChIKeyBPJNELAESWKEQS-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.11
Rot. Bonds2

About (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone

(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone (PubChem CID 99716081) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
PubChem CID99716081
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1csc(-c2ccncc2)n1
InChIInChI=1S/C19H17N3OS/c1-13-4-5-17-15(11-13)3-2-10-22(17)19(23)16-12-24-18(21-16)14-6-8-20-9-7-14/h4-9,11-12H,2-3,10H2,1H3
InChIKeyBPJNELAESWKEQS-UHFFFAOYSA-N
XLogP4.11
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone (CID 99716081) is (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone is Cc1ccc2c(c1)CCCN2C(=O)c1csc(-c2ccncc2)n1.
What is the InChIKey of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is BPJNELAESWKEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-13-4-5-17-15(11-13)3-2-10-22(17)19(23)16-12-24-18(21-16)14-6-8-20-9-7-14/h4-9,11-12H,2-3,10H2,1H3.
What are the key properties of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone?
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 335.43 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 99716081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).