4-propan-2-yl-6-quinolin-3-yl-1,4-benzoxazin-3-one

C20H18N2O2 — CID 155531472

IUPAC4-propan-2-yl-6-quinolin-3-yl-1,4-benzoxazin-3-one
SMILESCC(C)N1C(=O)COc2ccc(-c3cnc4ccccc4c3)cc21
InChIInChI=1S/C20H18N2O2/c1-13(2)22-18-10-14(7-8-19(18)24-12-20(22)23)16-9-15-5-3-4-6-17(15)21-11-16/h3-11,13H,12H2,1-2H3
InChIKeyJZTCMZPZGQEVDD-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.04
Rot. Bonds2

About 4-propan-2-yl-6-quinolin-3-yl-1,4-benzoxazin-3-one

4-propan-2-yl-6-quinolin-3-yl-1,4-benzoxazin-3-one (PubChem CID 155531472) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-propan-2-yl-6-quinolin-3-yl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-propan-2-yl-6-quinolin-3-yl-1,4-benzoxazin-3-one
PubChem CID155531472
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name4-propan-2-yl-6-quinolin-3-yl-1,4-benzoxazin-3-one
SMILESCC(C)N1C(=O)COc2ccc(-c3cnc4ccccc4c3)cc21
InChIInChI=1S/C20H18N2O2/c1-13(2)22-18-10-14(7-8-19(18)24-12-20(22)23)16-9-15-5-3-4-6-17(15)21-11-16/h3-11,13H,12H2,1-2H3
InChIKeyJZTCMZPZGQEVDD-UHFFFAOYSA-N
XLogP4.04
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-6-quinolin-3-yl-1,4-benzoxazin-3-one?
The IUPAC name of 4-propan-2-yl-6-quinolin-3-yl-1,4-benzoxazin-3-one (CID 155531472) is 4-propan-2-yl-6-quinolin-3-yl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-propan-2-yl-6-quinolin-3-yl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-propan-2-yl-6-quinolin-3-yl-1,4-benzoxazin-3-one is CC(C)N1C(=O)COc2ccc(-c3cnc4ccccc4c3)cc21.
What is the InChIKey of 4-propan-2-yl-6-quinolin-3-yl-1,4-benzoxazin-3-one?
The InChIKey is JZTCMZPZGQEVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-13(2)22-18-10-14(7-8-19(18)24-12-20(22)23)16-9-15-5-3-4-6-17(15)21-11-16/h3-11,13H,12H2,1-2H3.
What are the key properties of 4-propan-2-yl-6-quinolin-3-yl-1,4-benzoxazin-3-one?
4-propan-2-yl-6-quinolin-3-yl-1,4-benzoxazin-3-one has a molecular weight of 318.38 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-6-quinolin-3-yl-1,4-benzoxazin-3-one is sourced from PubChem (CID 155531472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).