N-(4-methylphenyl)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-2-carboxamide

C27H24N4O2S — CID 47093060

IUPACN-(4-methylphenyl)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCc3ccccc3N2C(=O)Cc2csc(-c3ccccn3)n2)cc1
InChIInChI=1S/C27H24N4O2S/c1-18-9-12-20(13-10-18)29-26(33)24-14-11-19-6-2-3-8-23(19)31(24)25(32)16-21-17-34-27(30-21)22-7-4-5-15-28-22/h2-10,12-13,15,17,24H,11,14,16H2,1H3,(H,29,33)
InChIKeyUGVFLJJOIORJOU-UHFFFAOYSA-N
MW468.58 g/mol
LogP5.04
Rot. Bonds5

About N-(4-methylphenyl)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-2-carboxamide

N-(4-methylphenyl)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-2-carboxamide (PubChem CID 47093060) has the molecular formula C27H24N4O2S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-2-carboxamide
PubChem CID47093060
Molecular FormulaC27H24N4O2S
Molecular Weight468.58 g/mol
Exact Mass468.16
IUPAC NameN-(4-methylphenyl)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCc3ccccc3N2C(=O)Cc2csc(-c3ccccn3)n2)cc1
InChIInChI=1S/C27H24N4O2S/c1-18-9-12-20(13-10-18)29-26(33)24-14-11-19-6-2-3-8-23(19)31(24)25(32)16-21-17-34-27(30-21)22-7-4-5-15-28-22/h2-10,12-13,15,17,24H,11,14,16H2,1H3,(H,29,33)
InChIKeyUGVFLJJOIORJOU-UHFFFAOYSA-N
XLogP5.04
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-2-carboxamide (CID 47093060) is N-(4-methylphenyl)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-2-carboxamide is Cc1ccc(NC(=O)C2CCc3ccccc3N2C(=O)Cc2csc(-c3ccccn3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-2-carboxamide?
The InChIKey is UGVFLJJOIORJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2S/c1-18-9-12-20(13-10-18)29-26(33)24-14-11-19-6-2-3-8-23(19)31(24)25(32)16-21-17-34-27(30-21)22-7-4-5-15-28-22/h2-10,12-13,15,17,24H,11,14,16H2,1H3,(H,29,33).
What are the key properties of N-(4-methylphenyl)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-2-carboxamide?
N-(4-methylphenyl)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-2-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-2-carboxamide is sourced from PubChem (CID 47093060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).