7-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one

C17H17N5OS — CID 119044468

IUPAC7-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCn1cc(-c2csc(CNc3ccc4c(c3)NC(=O)CC4)n2)cn1
InChIInChI=1S/C17H17N5OS/c1-22-9-12(7-19-22)15-10-24-17(21-15)8-18-13-4-2-11-3-5-16(23)20-14(11)6-13/h2,4,6-7,9-10,18H,3,5,8H2,1H3,(H,20,23)
InChIKeyYFKUTQZWCQJRPS-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.04
Rot. Bonds4

About 7-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one

7-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 119044468) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 7-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID119044468
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name7-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCn1cc(-c2csc(CNc3ccc4c(c3)NC(=O)CC4)n2)cn1
InChIInChI=1S/C17H17N5OS/c1-22-9-12(7-19-22)15-10-24-17(21-15)8-18-13-4-2-11-3-5-16(23)20-14(11)6-13/h2,4,6-7,9-10,18H,3,5,8H2,1H3,(H,20,23)
InChIKeyYFKUTQZWCQJRPS-UHFFFAOYSA-N
XLogP3.04
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one (CID 119044468) is 7-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one is Cn1cc(-c2csc(CNc3ccc4c(c3)NC(=O)CC4)n2)cn1.
What is the InChIKey of 7-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YFKUTQZWCQJRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-22-9-12(7-19-22)15-10-24-17(21-15)8-18-13-4-2-11-3-5-16(23)20-14(11)6-13/h2,4,6-7,9-10,18H,3,5,8H2,1H3,(H,20,23).
What are the key properties of 7-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one?
7-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 339.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 119044468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).