(4R)-4-methyl-6-(3-morpholin-4-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

C20H23N3O2 — CID 121278206

IUPAC(4R)-4-methyl-6-(3-morpholin-4-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESC[C@@H]1CC(=O)Nc2cccc(-c3cccc(N4CCOCC4)c3)c2N1
InChIInChI=1S/C20H23N3O2/c1-14-12-19(24)22-18-7-3-6-17(20(18)21-14)15-4-2-5-16(13-15)23-8-10-25-11-9-23/h2-7,13-14,21H,8-12H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyKIUVCNULALHMCT-CQSZACIVSA-N
MW337.42 g/mol
LogP3.33
Rot. Bonds2

About (4R)-4-methyl-6-(3-morpholin-4-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

(4R)-4-methyl-6-(3-morpholin-4-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (PubChem CID 121278206) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (4R)-4-methyl-6-(3-morpholin-4-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-6-(3-morpholin-4-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
PubChem CID121278206
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(4R)-4-methyl-6-(3-morpholin-4-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESC[C@@H]1CC(=O)Nc2cccc(-c3cccc(N4CCOCC4)c3)c2N1
InChIInChI=1S/C20H23N3O2/c1-14-12-19(24)22-18-7-3-6-17(20(18)21-14)15-4-2-5-16(13-15)23-8-10-25-11-9-23/h2-7,13-14,21H,8-12H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyKIUVCNULALHMCT-CQSZACIVSA-N
XLogP3.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-6-(3-morpholin-4-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The IUPAC name of (4R)-4-methyl-6-(3-morpholin-4-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (CID 121278206) is (4R)-4-methyl-6-(3-morpholin-4-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for (4R)-4-methyl-6-(3-morpholin-4-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The canonical SMILES for (4R)-4-methyl-6-(3-morpholin-4-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is C[C@@H]1CC(=O)Nc2cccc(-c3cccc(N4CCOCC4)c3)c2N1.
What is the InChIKey of (4R)-4-methyl-6-(3-morpholin-4-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The InChIKey is KIUVCNULALHMCT-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-12-19(24)22-18-7-3-6-17(20(18)21-14)15-4-2-5-16(13-15)23-8-10-25-11-9-23/h2-7,13-14,21H,8-12H2,1H3,(H,22,24)/t14-/m1/s1.
What are the key properties of (4R)-4-methyl-6-(3-morpholin-4-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
(4R)-4-methyl-6-(3-morpholin-4-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one has a molecular weight of 337.42 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-6-(3-morpholin-4-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 121278206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).