4-[(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)methyl]morpholine

C22H27N3O — CID 14978293

IUPAC4-[(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)methyl]morpholine
SMILESCN1Cc2ccccc2C(C)(c2ccccc2)N=C1CN1CCOCC1
InChIInChI=1S/C22H27N3O/c1-22(19-9-4-3-5-10-19)20-11-7-6-8-18(20)16-24(2)21(23-22)17-25-12-14-26-15-13-25/h3-11H,12-17H2,1-2H3
InChIKeyHHQHYRSDPGWINN-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.13
Rot. Bonds3

About 4-[(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)methyl]morpholine

4-[(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)methyl]morpholine (PubChem CID 14978293) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-[(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)methyl]morpholine
PubChem CID14978293
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name4-[(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)methyl]morpholine
SMILESCN1Cc2ccccc2C(C)(c2ccccc2)N=C1CN1CCOCC1
InChIInChI=1S/C22H27N3O/c1-22(19-9-4-3-5-10-19)20-11-7-6-8-18(20)16-24(2)21(23-22)17-25-12-14-26-15-13-25/h3-11H,12-17H2,1-2H3
InChIKeyHHQHYRSDPGWINN-UHFFFAOYSA-N
XLogP3.13
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 818746
CID 818746
CID 10066158
CID 10066158
CID 3046019
CID 3046019
CID 14978292
CID 14978292
CID 14978294
CID 14978294
CID 14978297
CID 14978297
CID 49860675
CID 49860675
CID 49860684
CID 49860684
CID 56659085
CID 56659085
CID 676171
CID 676171
CID 685020
CID 685020
CID 495122
CID 495122

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)methyl]morpholine?
The IUPAC name of 4-[(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)methyl]morpholine (CID 14978293) is 4-[(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)methyl]morpholine?
The canonical SMILES for 4-[(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)methyl]morpholine is CN1Cc2ccccc2C(C)(c2ccccc2)N=C1CN1CCOCC1.
What is the InChIKey of 4-[(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)methyl]morpholine?
The InChIKey is HHQHYRSDPGWINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-22(19-9-4-3-5-10-19)20-11-7-6-8-18(20)16-24(2)21(23-22)17-25-12-14-26-15-13-25/h3-11H,12-17H2,1-2H3.
What are the key properties of 4-[(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)methyl]morpholine?
4-[(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)methyl]morpholine has a molecular weight of 349.48 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)methyl]morpholine is sourced from PubChem (CID 14978293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).