(6S)-6-(furan-2-yl)-6-[(R)-(2-methoxyquinolin-3-yl)-phenylmethyl]-3-methyl-1,3-oxazinane

C26H26N2O3 — CID 58853339

IUPAC(6S)-6-(furan-2-yl)-6-[(R)-(2-methoxyquinolin-3-yl)-phenylmethyl]-3-methyl-1,3-oxazinane
SMILESCOc1nc2ccccc2cc1[C@@H](c1ccccc1)[C@]1(c2ccco2)CCN(C)CO1
InChIInChI=1S/C26H26N2O3/c1-28-15-14-26(31-18-28,23-13-8-16-30-23)24(19-9-4-3-5-10-19)21-17-20-11-6-7-12-22(20)27-25(21)29-2/h3-13,16-17,24H,14-15,18H2,1-2H3/t24-,26-/m1/s1
InChIKeyACNVPZMEFKGNIT-AOYPEHQESA-N
MW414.51 g/mol
LogP5.17
Rot. Bonds5

About (6S)-6-(furan-2-yl)-6-[(R)-(2-methoxyquinolin-3-yl)-phenylmethyl]-3-methyl-1,3-oxazinane

(6S)-6-(furan-2-yl)-6-[(R)-(2-methoxyquinolin-3-yl)-phenylmethyl]-3-methyl-1,3-oxazinane (PubChem CID 58853339) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is (6S)-6-(furan-2-yl)-6-[(R)-(2-methoxyquinolin-3-yl)-phenylmethyl]-3-methyl-1,3-oxazinane.

Molecular Properties

Compound Name(6S)-6-(furan-2-yl)-6-[(R)-(2-methoxyquinolin-3-yl)-phenylmethyl]-3-methyl-1,3-oxazinane
PubChem CID58853339
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name(6S)-6-(furan-2-yl)-6-[(R)-(2-methoxyquinolin-3-yl)-phenylmethyl]-3-methyl-1,3-oxazinane
SMILESCOc1nc2ccccc2cc1[C@@H](c1ccccc1)[C@]1(c2ccco2)CCN(C)CO1
InChIInChI=1S/C26H26N2O3/c1-28-15-14-26(31-18-28,23-13-8-16-30-23)24(19-9-4-3-5-10-19)21-17-20-11-6-7-12-22(20)27-25(21)29-2/h3-13,16-17,24H,14-15,18H2,1-2H3/t24-,26-/m1/s1
InChIKeyACNVPZMEFKGNIT-AOYPEHQESA-N
XLogP5.17
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6S)-6-(furan-2-yl)-6-[(R)-(2-methoxyquinolin-3-yl)-phenylmethyl]-3-methyl-1,3-oxazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(furan-2-yl)-6-[(R)-(2-methoxyquinolin-3-yl)-phenylmethyl]-3-methyl-1,3-oxazinane?
The IUPAC name of (6S)-6-(furan-2-yl)-6-[(R)-(2-methoxyquinolin-3-yl)-phenylmethyl]-3-methyl-1,3-oxazinane (CID 58853339) is (6S)-6-(furan-2-yl)-6-[(R)-(2-methoxyquinolin-3-yl)-phenylmethyl]-3-methyl-1,3-oxazinane.
What is the SMILES notation for (6S)-6-(furan-2-yl)-6-[(R)-(2-methoxyquinolin-3-yl)-phenylmethyl]-3-methyl-1,3-oxazinane?
The canonical SMILES for (6S)-6-(furan-2-yl)-6-[(R)-(2-methoxyquinolin-3-yl)-phenylmethyl]-3-methyl-1,3-oxazinane is COc1nc2ccccc2cc1[C@@H](c1ccccc1)[C@]1(c2ccco2)CCN(C)CO1.
What is the InChIKey of (6S)-6-(furan-2-yl)-6-[(R)-(2-methoxyquinolin-3-yl)-phenylmethyl]-3-methyl-1,3-oxazinane?
The InChIKey is ACNVPZMEFKGNIT-AOYPEHQESA-N. The full InChI is InChI=1S/C26H26N2O3/c1-28-15-14-26(31-18-28,23-13-8-16-30-23)24(19-9-4-3-5-10-19)21-17-20-11-6-7-12-22(20)27-25(21)29-2/h3-13,16-17,24H,14-15,18H2,1-2H3/t24-,26-/m1/s1.
What are the key properties of (6S)-6-(furan-2-yl)-6-[(R)-(2-methoxyquinolin-3-yl)-phenylmethyl]-3-methyl-1,3-oxazinane?
(6S)-6-(furan-2-yl)-6-[(R)-(2-methoxyquinolin-3-yl)-phenylmethyl]-3-methyl-1,3-oxazinane has a molecular weight of 414.51 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(furan-2-yl)-6-[(R)-(2-methoxyquinolin-3-yl)-phenylmethyl]-3-methyl-1,3-oxazinane is sourced from PubChem (CID 58853339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).