2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide

C18H18N6O2 — CID 99975390

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide
SMILESCc1cc(C)n2nc(CC(=O)N[C@H]3CC(=O)Nc4ccccc43)nc2n1
InChIInChI=1S/C18H18N6O2/c1-10-7-11(2)24-18(19-10)22-15(23-24)9-17(26)21-14-8-16(25)20-13-6-4-3-5-12(13)14/h3-7,14H,8-9H2,1-2H3,(H,20,25)(H,21,26)/t14-/m0/s1
InChIKeyBDGOWLMBPMUTJU-AWEZNQCLSA-N
MW350.38 g/mol
LogP1.48
Rot. Bonds3

About 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide (PubChem CID 99975390) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide
PubChem CID99975390
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide
SMILESCc1cc(C)n2nc(CC(=O)N[C@H]3CC(=O)Nc4ccccc43)nc2n1
InChIInChI=1S/C18H18N6O2/c1-10-7-11(2)24-18(19-10)22-15(23-24)9-17(26)21-14-8-16(25)20-13-6-4-3-5-12(13)14/h3-7,14H,8-9H2,1-2H3,(H,20,25)(H,21,26)/t14-/m0/s1
InChIKeyBDGOWLMBPMUTJU-AWEZNQCLSA-N
XLogP1.48
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide (CID 99975390) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide is Cc1cc(C)n2nc(CC(=O)N[C@H]3CC(=O)Nc4ccccc43)nc2n1.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide?
The InChIKey is BDGOWLMBPMUTJU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-10-7-11(2)24-18(19-10)22-15(23-24)9-17(26)21-14-8-16(25)20-13-6-4-3-5-12(13)14/h3-7,14H,8-9H2,1-2H3,(H,20,25)(H,21,26)/t14-/m0/s1.
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide has a molecular weight of 350.38 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide is sourced from PubChem (CID 99975390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).