4-quinolin-3-ylspiro[1,3-benzoxazine-2,1'-cyclobutane]

C20H16N2O — CID 68993426

IUPAC4-quinolin-3-ylspiro[1,3-benzoxazine-2,1'-cyclobutane]
SMILESc1ccc2c(c1)OC1(CCC1)N=C2c1cnc2ccccc2c1
InChIInChI=1S/C20H16N2O/c1-3-8-17-14(6-1)12-15(13-21-17)19-16-7-2-4-9-18(16)23-20(22-19)10-5-11-20/h1-4,6-9,12-13H,5,10-11H2
InChIKeyFDDXMSQULXXZTP-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.34
Rot. Bonds1

About 4-quinolin-3-ylspiro[1,3-benzoxazine-2,1'-cyclobutane]

4-quinolin-3-ylspiro[1,3-benzoxazine-2,1'-cyclobutane] (PubChem CID 68993426) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-quinolin-3-ylspiro[1,3-benzoxazine-2,1'-cyclobutane].

Molecular Properties

Compound Name4-quinolin-3-ylspiro[1,3-benzoxazine-2,1'-cyclobutane]
PubChem CID68993426
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name4-quinolin-3-ylspiro[1,3-benzoxazine-2,1'-cyclobutane]
SMILESc1ccc2c(c1)OC1(CCC1)N=C2c1cnc2ccccc2c1
InChIInChI=1S/C20H16N2O/c1-3-8-17-14(6-1)12-15(13-21-17)19-16-7-2-4-9-18(16)23-20(22-19)10-5-11-20/h1-4,6-9,12-13H,5,10-11H2
InChIKeyFDDXMSQULXXZTP-UHFFFAOYSA-N
XLogP4.34
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]spiro[1,3-benzoxazine-2,1'-cyclobutane]
CID 166132407
4-(5,6-dimethyl-3-pyridinyl)spiro[1,3-benzoxazine-2,3'-oxetane]
CID 171522755
3-phenyl-1-quinolin-3-yl-3-(trifluoromethyl)-4H-isoquinoline
CID 23160838
3,3,4-trimethyl-1-quinolin-3-yl-4H-isoquinoline
CID 23160875
6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline
CID 23160905
2-quinolin-3-ylaniline
CID 4134401
4,4-dibromo-3-(chloromethyl)-3-methyl-1-quinolin-3-ylisoquinoline
CID 90308975
3-methyl-4-quinolin-3-ylbenzaldehyde
CID 81447397
4-quinolin-3-yl-2,1,3-benzoxadiazole
CID 91463499
3-(2,3,4,5,6,7-hexahydroazocin-8-yl)quinoline
CID 23447714
3-(2,3-dichlorophenyl)quinoline
CID 175328556
4-quinolin-3-yloxadiazole
CID 91189837

Frequently Asked Questions

What is the IUPAC name of 4-quinolin-3-ylspiro[1,3-benzoxazine-2,1'-cyclobutane]?
The IUPAC name of 4-quinolin-3-ylspiro[1,3-benzoxazine-2,1'-cyclobutane] (CID 68993426) is 4-quinolin-3-ylspiro[1,3-benzoxazine-2,1'-cyclobutane].
What is the SMILES notation for 4-quinolin-3-ylspiro[1,3-benzoxazine-2,1'-cyclobutane]?
The canonical SMILES for 4-quinolin-3-ylspiro[1,3-benzoxazine-2,1'-cyclobutane] is c1ccc2c(c1)OC1(CCC1)N=C2c1cnc2ccccc2c1.
What is the InChIKey of 4-quinolin-3-ylspiro[1,3-benzoxazine-2,1'-cyclobutane]?
The InChIKey is FDDXMSQULXXZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-3-8-17-14(6-1)12-15(13-21-17)19-16-7-2-4-9-18(16)23-20(22-19)10-5-11-20/h1-4,6-9,12-13H,5,10-11H2.
What are the key properties of 4-quinolin-3-ylspiro[1,3-benzoxazine-2,1'-cyclobutane]?
4-quinolin-3-ylspiro[1,3-benzoxazine-2,1'-cyclobutane] has a molecular weight of 300.36 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-3-ylspiro[1,3-benzoxazine-2,1'-cyclobutane] is sourced from PubChem (CID 68993426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).