7-(4-methylpiperazine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one

C23H21N5O2S — CID 10194805

IUPAC7-(4-methylpiperazine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESCN1CCN(C(=O)c2ccc3cc(-c4csc(-c5ccncc5)n4)c(=O)[nH]c3c2)CC1
InChIInChI=1S/C23H21N5O2S/c1-27-8-10-28(11-9-27)23(30)17-3-2-16-12-18(21(29)25-19(16)13-17)20-14-31-22(26-20)15-4-6-24-7-5-15/h2-7,12-14H,8-11H2,1H3,(H,25,29)
InChIKeyGFPPBUZAOLMYKX-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.10
Rot. Bonds3

About 7-(4-methylpiperazine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one

7-(4-methylpiperazine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one (PubChem CID 10194805) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is 7-(4-methylpiperazine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(4-methylpiperazine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
PubChem CID10194805
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC Name7-(4-methylpiperazine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESCN1CCN(C(=O)c2ccc3cc(-c4csc(-c5ccncc5)n4)c(=O)[nH]c3c2)CC1
InChIInChI=1S/C23H21N5O2S/c1-27-8-10-28(11-9-27)23(30)17-3-2-16-12-18(21(29)25-19(16)13-17)20-14-31-22(26-20)15-4-6-24-7-5-15/h2-7,12-14H,8-11H2,1H3,(H,25,29)
InChIKeyGFPPBUZAOLMYKX-UHFFFAOYSA-N
XLogP3.10
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperazine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The IUPAC name of 7-(4-methylpiperazine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one (CID 10194805) is 7-(4-methylpiperazine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one.
What is the SMILES notation for 7-(4-methylpiperazine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The canonical SMILES for 7-(4-methylpiperazine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one is CN1CCN(C(=O)c2ccc3cc(-c4csc(-c5ccncc5)n4)c(=O)[nH]c3c2)CC1.
What is the InChIKey of 7-(4-methylpiperazine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The InChIKey is GFPPBUZAOLMYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-27-8-10-28(11-9-27)23(30)17-3-2-16-12-18(21(29)25-19(16)13-17)20-14-31-22(26-20)15-4-6-24-7-5-15/h2-7,12-14H,8-11H2,1H3,(H,25,29).
What are the key properties of 7-(4-methylpiperazine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
7-(4-methylpiperazine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one has a molecular weight of 431.52 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one is sourced from PubChem (CID 10194805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).