(4S)-6-chloro-4-methoxy-1-methyl-4-phenyl-3,1-benzoxazin-2-one

C16H14ClNO3 — CID 162345531

IUPAC(4S)-6-chloro-4-methoxy-1-methyl-4-phenyl-3,1-benzoxazin-2-one
SMILESCO[C@@]1(c2ccccc2)OC(=O)N(C)c2ccc(Cl)cc21
InChIInChI=1S/C16H14ClNO3/c1-18-14-9-8-12(17)10-13(14)16(20-2,21-15(18)19)11-6-4-3-5-7-11/h3-10H,1-2H3/t16-/m0/s1
InChIKeyUGRLCMIRQWCAIP-INIZCTEOSA-N
MW303.75 g/mol
LogP3.77
Rot. Bonds2

About (4S)-6-chloro-4-methoxy-1-methyl-4-phenyl-3,1-benzoxazin-2-one

(4S)-6-chloro-4-methoxy-1-methyl-4-phenyl-3,1-benzoxazin-2-one (PubChem CID 162345531) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is (4S)-6-chloro-4-methoxy-1-methyl-4-phenyl-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name(4S)-6-chloro-4-methoxy-1-methyl-4-phenyl-3,1-benzoxazin-2-one
PubChem CID162345531
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name(4S)-6-chloro-4-methoxy-1-methyl-4-phenyl-3,1-benzoxazin-2-one
SMILESCO[C@@]1(c2ccccc2)OC(=O)N(C)c2ccc(Cl)cc21
InChIInChI=1S/C16H14ClNO3/c1-18-14-9-8-12(17)10-13(14)16(20-2,21-15(18)19)11-6-4-3-5-7-11/h3-10H,1-2H3/t16-/m0/s1
InChIKeyUGRLCMIRQWCAIP-INIZCTEOSA-N
XLogP3.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-chloro-4-methoxy-1-methyl-4-phenyl-3,1-benzoxazin-2-one?
The IUPAC name of (4S)-6-chloro-4-methoxy-1-methyl-4-phenyl-3,1-benzoxazin-2-one (CID 162345531) is (4S)-6-chloro-4-methoxy-1-methyl-4-phenyl-3,1-benzoxazin-2-one.
What is the SMILES notation for (4S)-6-chloro-4-methoxy-1-methyl-4-phenyl-3,1-benzoxazin-2-one?
The canonical SMILES for (4S)-6-chloro-4-methoxy-1-methyl-4-phenyl-3,1-benzoxazin-2-one is CO[C@@]1(c2ccccc2)OC(=O)N(C)c2ccc(Cl)cc21.
What is the InChIKey of (4S)-6-chloro-4-methoxy-1-methyl-4-phenyl-3,1-benzoxazin-2-one?
The InChIKey is UGRLCMIRQWCAIP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-18-14-9-8-12(17)10-13(14)16(20-2,21-15(18)19)11-6-4-3-5-7-11/h3-10H,1-2H3/t16-/m0/s1.
What are the key properties of (4S)-6-chloro-4-methoxy-1-methyl-4-phenyl-3,1-benzoxazin-2-one?
(4S)-6-chloro-4-methoxy-1-methyl-4-phenyl-3,1-benzoxazin-2-one has a molecular weight of 303.75 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-chloro-4-methoxy-1-methyl-4-phenyl-3,1-benzoxazin-2-one is sourced from PubChem (CID 162345531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).