6-methyl-4-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-quinolin-2-one

C21H21N3O4 — CID 170505632

IUPAC6-methyl-4-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)cc(C(=O)N3CCc4oc(C5CCOC5)nc4C3)c2c1
InChIInChI=1S/C21H21N3O4/c1-12-2-3-16-14(8-12)15(9-19(25)22-16)21(26)24-6-4-18-17(10-24)23-20(28-18)13-5-7-27-11-13/h2-3,8-9,13H,4-7,10-11H2,1H3,(H,22,25)
InChIKeyFQIXGXOIHWUJNW-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.53
Rot. Bonds2

About 6-methyl-4-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-quinolin-2-one

6-methyl-4-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-quinolin-2-one (PubChem CID 170505632) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-methyl-4-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-4-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-quinolin-2-one
PubChem CID170505632
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name6-methyl-4-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)cc(C(=O)N3CCc4oc(C5CCOC5)nc4C3)c2c1
InChIInChI=1S/C21H21N3O4/c1-12-2-3-16-14(8-12)15(9-19(25)22-16)21(26)24-6-4-18-17(10-24)23-20(28-18)13-5-7-27-11-13/h2-3,8-9,13H,4-7,10-11H2,1H3,(H,22,25)
InChIKeyFQIXGXOIHWUJNW-UHFFFAOYSA-N
XLogP2.53
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 6-methyl-4-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-quinolin-2-one (CID 170505632) is 6-methyl-4-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-4-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-4-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)cc(C(=O)N3CCc4oc(C5CCOC5)nc4C3)c2c1.
What is the InChIKey of 6-methyl-4-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-quinolin-2-one?
The InChIKey is FQIXGXOIHWUJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-12-2-3-16-14(8-12)15(9-19(25)22-16)21(26)24-6-4-18-17(10-24)23-20(28-18)13-5-7-27-11-13/h2-3,8-9,13H,4-7,10-11H2,1H3,(H,22,25).
What are the key properties of 6-methyl-4-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-quinolin-2-one?
6-methyl-4-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-quinolin-2-one has a molecular weight of 379.42 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 170505632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).