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

C36H32N2O3 — CID 58853314

IUPAC(6S)-6-[(R)-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-phenylmethyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane
SMILESCOc1nc2ccc(-c3ccco3)cc2cc1[C@@H](c1ccccc1)[C@]1(c2cccc3ccccc23)CCN(C)CO1
InChIInChI=1S/C36H32N2O3/c1-38-20-19-36(41-24-38,31-15-8-13-25-10-6-7-14-29(25)31)34(26-11-4-3-5-12-26)30-23-28-22-27(33-16-9-21-40-33)17-18-32(28)37-35(30)39-2/h3-18,21-23,34H,19-20,24H2,1-2H3/t34-,36-/m1/s1
InChIKeyRANFFCANMDNMBF-QZCRLSDHSA-N
MW540.66 g/mol
LogP7.99
Rot. Bonds6

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

(6S)-6-[(R)-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-phenylmethyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane (PubChem CID 58853314) has the molecular formula C36H32N2O3 and a molecular weight of 540.66 g/mol. Its IUPAC name is (6S)-6-[(R)-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-phenylmethyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane.

Molecular Properties

Compound Name(6S)-6-[(R)-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-phenylmethyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane
PubChem CID58853314
Molecular FormulaC36H32N2O3
Molecular Weight540.66 g/mol
Exact Mass540.24
IUPAC Name(6S)-6-[(R)-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-phenylmethyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane
SMILESCOc1nc2ccc(-c3ccco3)cc2cc1[C@@H](c1ccccc1)[C@]1(c2cccc3ccccc23)CCN(C)CO1
InChIInChI=1S/C36H32N2O3/c1-38-20-19-36(41-24-38,31-15-8-13-25-10-6-7-14-29(25)31)34(26-11-4-3-5-12-26)30-23-28-22-27(33-16-9-21-40-33)17-18-32(28)37-35(30)39-2/h3-18,21-23,34H,19-20,24H2,1-2H3/t34-,36-/m1/s1
InChIKeyRANFFCANMDNMBF-QZCRLSDHSA-N
XLogP7.99
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.66
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(R)-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-phenylmethyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane?
The IUPAC name of (6S)-6-[(R)-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-phenylmethyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane (CID 58853314) is (6S)-6-[(R)-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-phenylmethyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane.
What is the SMILES notation for (6S)-6-[(R)-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-phenylmethyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane?
The canonical SMILES for (6S)-6-[(R)-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-phenylmethyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane is COc1nc2ccc(-c3ccco3)cc2cc1[C@@H](c1ccccc1)[C@]1(c2cccc3ccccc23)CCN(C)CO1.
What is the InChIKey of (6S)-6-[(R)-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-phenylmethyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane?
The InChIKey is RANFFCANMDNMBF-QZCRLSDHSA-N. The full InChI is InChI=1S/C36H32N2O3/c1-38-20-19-36(41-24-38,31-15-8-13-25-10-6-7-14-29(25)31)34(26-11-4-3-5-12-26)30-23-28-22-27(33-16-9-21-40-33)17-18-32(28)37-35(30)39-2/h3-18,21-23,34H,19-20,24H2,1-2H3/t34-,36-/m1/s1.
What are the key properties of (6S)-6-[(R)-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-phenylmethyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane?
(6S)-6-[(R)-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-phenylmethyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane has a molecular weight of 540.66 g/mol, XLogP of 7.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(R)-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-phenylmethyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane is sourced from PubChem (CID 58853314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).