N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide

C17H17N3O3 — CID 110390056

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
SMILESCc1cc(NC(=O)CCc2ccc3cc(C)c(=O)[nH]c3c2)no1
InChIInChI=1S/C17H17N3O3/c1-10-7-13-5-3-12(9-14(13)18-17(10)22)4-6-16(21)19-15-8-11(2)23-20-15/h3,5,7-9H,4,6H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyDKURFEYESYAJQV-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.70
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide

N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide (PubChem CID 110390056) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
PubChem CID110390056
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
SMILESCc1cc(NC(=O)CCc2ccc3cc(C)c(=O)[nH]c3c2)no1
InChIInChI=1S/C17H17N3O3/c1-10-7-13-5-3-12(9-14(13)18-17(10)22)4-6-16(21)19-15-8-11(2)23-20-15/h3,5,7-9H,4,6H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyDKURFEYESYAJQV-UHFFFAOYSA-N
XLogP2.70
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide (CID 110390056) is N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide is Cc1cc(NC(=O)CCc2ccc3cc(C)c(=O)[nH]c3c2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide?
The InChIKey is DKURFEYESYAJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10-7-13-5-3-12(9-14(13)18-17(10)22)4-6-16(21)19-15-8-11(2)23-20-15/h3,5,7-9H,4,6H2,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide has a molecular weight of 311.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide is sourced from PubChem (CID 110390056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).