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

C17H14N2O2 — CID 154166770

IUPAC3-(methoxymethyl)-5-phenyl-1,4-benzodiazepin-2-one
SMILESCOCc1nc(-c2ccccc2)c2ccccc2nc1=O
InChIInChI=1S/C17H14N2O2/c1-21-11-15-17(20)19-14-10-6-5-9-13(14)16(18-15)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyNJJQPJONDBUWMF-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.80
Rot. Bonds3

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

3-(methoxymethyl)-5-phenyl-1,4-benzodiazepin-2-one (PubChem CID 154166770) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-phenyl-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-(methoxymethyl)-5-phenyl-1,4-benzodiazepin-2-one
PubChem CID154166770
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-(methoxymethyl)-5-phenyl-1,4-benzodiazepin-2-one
SMILESCOCc1nc(-c2ccccc2)c2ccccc2nc1=O
InChIInChI=1S/C17H14N2O2/c1-21-11-15-17(20)19-14-10-6-5-9-13(14)16(18-15)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyNJJQPJONDBUWMF-UHFFFAOYSA-N
XLogP2.80
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-3-propyl-1,4-benzodiazepin-2-one
CID 91051065
2-ethoxy-4-phenylquinazoline
CID 134912772
2-ethyl-4-(4-phenylphenyl)quinazoline
CID 134403599
5-(2-methoxyethyl)-4-methyl-2-[(4-phenylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135882022
methyl 4-[(4-phenylquinazolin-2-yl)amino]benzoate
CID 4547091
4-phenylquinazolin-2-amine;hydrochloride
CID 174298789
methyl 2-hydroxy-2-methyl-3-[(4-phenylquinazolin-2-yl)amino]propanoate
CID 75508856
1-methoxy-3-[methyl-(4-phenylquinazolin-2-yl)amino]propan-2-ol
CID 47069006
N-[3-(2-methoxyethoxy)propyl]-4-phenylquinazolin-2-amine
CID 86910075
2-iodo-4-(4-phenylphenyl)quinazoline
CID 134286122
4-phenylquinazoline-2-carbonitrile
CID 15424970
4-phenylquinazoline-2-carboxamide
CID 14528191

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-phenyl-1,4-benzodiazepin-2-one?
The IUPAC name of 3-(methoxymethyl)-5-phenyl-1,4-benzodiazepin-2-one (CID 154166770) is 3-(methoxymethyl)-5-phenyl-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-(methoxymethyl)-5-phenyl-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-(methoxymethyl)-5-phenyl-1,4-benzodiazepin-2-one is COCc1nc(-c2ccccc2)c2ccccc2nc1=O.
What is the InChIKey of 3-(methoxymethyl)-5-phenyl-1,4-benzodiazepin-2-one?
The InChIKey is NJJQPJONDBUWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-21-11-15-17(20)19-14-10-6-5-9-13(14)16(18-15)12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of 3-(methoxymethyl)-5-phenyl-1,4-benzodiazepin-2-one?
3-(methoxymethyl)-5-phenyl-1,4-benzodiazepin-2-one has a molecular weight of 278.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-phenyl-1,4-benzodiazepin-2-one is sourced from PubChem (CID 154166770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).