5-benzyl-2-propyl-[1,3]oxazolo[4,5-c]quinolin-4-one

C20H18N2O2 — CID 102193245

IUPAC5-benzyl-2-propyl-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCCCc1nc2c(=O)n(Cc3ccccc3)c3ccccc3c2o1
InChIInChI=1S/C20H18N2O2/c1-2-8-17-21-18-19(24-17)15-11-6-7-12-16(15)22(20(18)23)13-14-9-4-3-5-10-14/h3-7,9-12H,2,8,13H2,1H3
InChIKeyQFPFKYOVEBRYQC-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.14
Rot. Bonds4

About 5-benzyl-2-propyl-[1,3]oxazolo[4,5-c]quinolin-4-one

5-benzyl-2-propyl-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 102193245) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-benzyl-2-propyl-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name5-benzyl-2-propyl-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID102193245
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name5-benzyl-2-propyl-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCCCc1nc2c(=O)n(Cc3ccccc3)c3ccccc3c2o1
InChIInChI=1S/C20H18N2O2/c1-2-8-17-21-18-19(24-17)15-11-6-7-12-16(15)22(20(18)23)13-14-9-4-3-5-10-14/h3-7,9-12H,2,8,13H2,1H3
InChIKeyQFPFKYOVEBRYQC-UHFFFAOYSA-N
XLogP4.14
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-pentyl-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 3237789
2-heptyl-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 4625749
5-benzyl-2-methyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one
CID 132576054
1-benzyl-5-propylimidazo[4,5-c]quinolin-4-one
CID 10448523
1-benzyl-3,1-benzoxazine-2,4-dione
CID 520756
2-propyl-3,1-benzoxazin-4-one
CID 823661
5-benzyl-10-methylphenanthridin-6-one
CID 71505961
1-benzyl-4-(N-methylanilino)-1,4-benzodiazepine-2,3,5-trione
CID 101390090
1-benzyl-5-ethyltriazolo[4,5-c]quinolin-4-one
CID 132516535
ethyl 5-benzyl-4-oxopyrano[3,2-b]indole-2-carboxylate
CID 10020576
3-benzyl-2-ethyl-10-methylpyrimido[4,5-b]quinoline-4,5-dione
CID 7660271
1-benzyl-3-ethylquinoxalin-2-one
CID 91739681

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-propyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 5-benzyl-2-propyl-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 102193245) is 5-benzyl-2-propyl-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 5-benzyl-2-propyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 5-benzyl-2-propyl-[1,3]oxazolo[4,5-c]quinolin-4-one is CCCc1nc2c(=O)n(Cc3ccccc3)c3ccccc3c2o1.
What is the InChIKey of 5-benzyl-2-propyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is QFPFKYOVEBRYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-2-8-17-21-18-19(24-17)15-11-6-7-12-16(15)22(20(18)23)13-14-9-4-3-5-10-14/h3-7,9-12H,2,8,13H2,1H3.
What are the key properties of 5-benzyl-2-propyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
5-benzyl-2-propyl-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 318.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-propyl-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 102193245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).