7-methoxy-5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one

C18H20N2O3 — CID 21201552

IUPAC7-methoxy-5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCOCN1C(=O)CCN(c2ccccc2)c2ccc(OC)cc21
InChIInChI=1S/C18H20N2O3/c1-22-13-20-17-12-15(23-2)8-9-16(17)19(11-10-18(20)21)14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3
InChIKeySYEFMOXVKGQQBK-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.17
Rot. Bonds4

About 7-methoxy-5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one

7-methoxy-5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one (PubChem CID 21201552) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 7-methoxy-5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name7-methoxy-5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one
PubChem CID21201552
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name7-methoxy-5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCOCN1C(=O)CCN(c2ccccc2)c2ccc(OC)cc21
InChIInChI=1S/C18H20N2O3/c1-22-13-20-17-12-15(23-2)8-9-16(17)19(11-10-18(20)21)14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3
InChIKeySYEFMOXVKGQQBK-UHFFFAOYSA-N
XLogP3.17
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The IUPAC name of 7-methoxy-5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one (CID 21201552) is 7-methoxy-5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one.
What is the SMILES notation for 7-methoxy-5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The canonical SMILES for 7-methoxy-5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one is COCN1C(=O)CCN(c2ccccc2)c2ccc(OC)cc21.
What is the InChIKey of 7-methoxy-5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The InChIKey is SYEFMOXVKGQQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-13-20-17-12-15(23-2)8-9-16(17)19(11-10-18(20)21)14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of 7-methoxy-5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one?
7-methoxy-5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one has a molecular weight of 312.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one is sourced from PubChem (CID 21201552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).