4-(1-methyl-2-morpholin-4-yl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-3-yl)morpholine

C24H29N5O4 — CID 619809

IUPAC4-(1-methyl-2-morpholin-4-yl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-3-yl)morpholine
SMILESCN1c2ccc([N+](=O)[O-])cc2C(c2ccccc2)=NC(N2CCOCC2)C1N1CCOCC1
InChIInChI=1S/C24H29N5O4/c1-26-21-8-7-19(29(30)31)17-20(21)22(18-5-3-2-4-6-18)25-23(27-9-13-32-14-10-27)24(26)28-11-15-33-16-12-28/h2-8,17,23-24H,9-16H2,1H3
InChIKeyPXFPTABCSYKIBH-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.20
Rot. Bonds4

About 4-(1-methyl-2-morpholin-4-yl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-3-yl)morpholine

4-(1-methyl-2-morpholin-4-yl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-3-yl)morpholine (PubChem CID 619809) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is 4-(1-methyl-2-morpholin-4-yl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-3-yl)morpholine.

Molecular Properties

Compound Name4-(1-methyl-2-morpholin-4-yl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-3-yl)morpholine
PubChem CID619809
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name4-(1-methyl-2-morpholin-4-yl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-3-yl)morpholine
SMILESCN1c2ccc([N+](=O)[O-])cc2C(c2ccccc2)=NC(N2CCOCC2)C1N1CCOCC1
InChIInChI=1S/C24H29N5O4/c1-26-21-8-7-19(29(30)31)17-20(21)22(18-5-3-2-4-6-18)25-23(27-9-13-32-14-10-27)24(26)28-11-15-33-16-12-28/h2-8,17,23-24H,9-16H2,1H3
InChIKeyPXFPTABCSYKIBH-UHFFFAOYSA-N
XLogP2.20
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(1-methyl-2-morpholin-4-yl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-3-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2-morpholin-4-yl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-3-yl)morpholine?
The IUPAC name of 4-(1-methyl-2-morpholin-4-yl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-3-yl)morpholine (CID 619809) is 4-(1-methyl-2-morpholin-4-yl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-3-yl)morpholine.
What is the SMILES notation for 4-(1-methyl-2-morpholin-4-yl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-3-yl)morpholine?
The canonical SMILES for 4-(1-methyl-2-morpholin-4-yl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-3-yl)morpholine is CN1c2ccc([N+](=O)[O-])cc2C(c2ccccc2)=NC(N2CCOCC2)C1N1CCOCC1.
What is the InChIKey of 4-(1-methyl-2-morpholin-4-yl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-3-yl)morpholine?
The InChIKey is PXFPTABCSYKIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-26-21-8-7-19(29(30)31)17-20(21)22(18-5-3-2-4-6-18)25-23(27-9-13-32-14-10-27)24(26)28-11-15-33-16-12-28/h2-8,17,23-24H,9-16H2,1H3.
What are the key properties of 4-(1-methyl-2-morpholin-4-yl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-3-yl)morpholine?
4-(1-methyl-2-morpholin-4-yl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-3-yl)morpholine has a molecular weight of 451.53 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2-morpholin-4-yl-7-nitro-5-phenyl-2,3-dihydro-1,4-benzodiazepin-3-yl)morpholine is sourced from PubChem (CID 619809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).