3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(quinolin-3-yl)methanol

C17H20N2O2 — CID 79094362

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(quinolin-3-yl)methanol
SMILESOC(c1cnc2ccccc2c1)C1CN2CCCC2CO1
InChIInChI=1S/C17H20N2O2/c20-17(16-10-19-7-3-5-14(19)11-21-16)13-8-12-4-1-2-6-15(12)18-9-13/h1-2,4,6,8-9,14,16-17,20H,3,5,7,10-11H2
InChIKeyHKGJRXVOJAHAER-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.13
Rot. Bonds2

About 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(quinolin-3-yl)methanol

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(quinolin-3-yl)methanol (PubChem CID 79094362) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(quinolin-3-yl)methanol.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(quinolin-3-yl)methanol
PubChem CID79094362
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(quinolin-3-yl)methanol
SMILESOC(c1cnc2ccccc2c1)C1CN2CCCC2CO1
InChIInChI=1S/C17H20N2O2/c20-17(16-10-19-7-3-5-14(19)11-21-16)13-8-12-4-1-2-6-15(12)18-9-13/h1-2,4,6,8-9,14,16-17,20H,3,5,7,10-11H2
InChIKeyHKGJRXVOJAHAER-UHFFFAOYSA-N
XLogP2.13
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-propan-2-ylmorpholin-2-yl)-quinolin-3-ylmethanol
CID 79665158
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(quinolin-8-yl)methanol
CID 81210526
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-cyclobutylphenyl)methanol
CID 116505824
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(7-chloro-1-benzofuran-2-yl)methanol
CID 114726928
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-propoxyphenyl)methanol
CID 104659643
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-fluoro-2-methylphenyl)methanol
CID 79087688
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-phenylcyclopropyl)methanamine
CID 116517715
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(1-benzofuran-2-yl)methyl]hydrazine
CID 105245205
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2,6-difluoro-3-methylphenyl)methanol
CID 82822204
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dichlorophenyl)ethanol
CID 79087210
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 79740055
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(furan-2-yl)ethanol
CID 83174692

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(quinolin-3-yl)methanol?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(quinolin-3-yl)methanol (CID 79094362) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(quinolin-3-yl)methanol.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(quinolin-3-yl)methanol?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(quinolin-3-yl)methanol is OC(c1cnc2ccccc2c1)C1CN2CCCC2CO1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(quinolin-3-yl)methanol?
The InChIKey is HKGJRXVOJAHAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-17(16-10-19-7-3-5-14(19)11-21-16)13-8-12-4-1-2-6-15(12)18-9-13/h1-2,4,6,8-9,14,16-17,20H,3,5,7,10-11H2.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(quinolin-3-yl)methanol?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(quinolin-3-yl)methanol has a molecular weight of 284.36 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(quinolin-3-yl)methanol is sourced from PubChem (CID 79094362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).