7-indol-1-yl-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine

C24H23N3O2 — CID 122180274

IUPAC7-indol-1-yl-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCOc1cc(-n2ccc3ccccc32)cc2c1OCCN(Cc1cccnc1)C2
InChIInChI=1S/C24H23N3O2/c1-28-23-14-21(27-10-8-19-6-2-3-7-22(19)27)13-20-17-26(11-12-29-24(20)23)16-18-5-4-9-25-15-18/h2-10,13-15H,11-12,16-17H2,1H3
InChIKeyDMZSBWTVXNLHFV-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.43
Rot. Bonds4

About 7-indol-1-yl-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine

7-indol-1-yl-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine (PubChem CID 122180274) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 7-indol-1-yl-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine.

Molecular Properties

Compound Name7-indol-1-yl-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
PubChem CID122180274
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name7-indol-1-yl-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCOc1cc(-n2ccc3ccccc32)cc2c1OCCN(Cc1cccnc1)C2
InChIInChI=1S/C24H23N3O2/c1-28-23-14-21(27-10-8-19-6-2-3-7-22(19)27)13-20-17-26(11-12-29-24(20)23)16-18-5-4-9-25-15-18/h2-10,13-15H,11-12,16-17H2,1H3
InChIKeyDMZSBWTVXNLHFV-UHFFFAOYSA-N
XLogP4.43
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-indol-1-yl-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine with MolForge

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Related Compounds

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CID 20920
Leniquinsin
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CID 10085862
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CID 54768148

Frequently Asked Questions

What is the IUPAC name of 7-indol-1-yl-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine?
The IUPAC name of 7-indol-1-yl-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine (CID 122180274) is 7-indol-1-yl-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine.
What is the SMILES notation for 7-indol-1-yl-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine?
The canonical SMILES for 7-indol-1-yl-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine is COc1cc(-n2ccc3ccccc32)cc2c1OCCN(Cc1cccnc1)C2.
What is the InChIKey of 7-indol-1-yl-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine?
The InChIKey is DMZSBWTVXNLHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-28-23-14-21(27-10-8-19-6-2-3-7-22(19)27)13-20-17-26(11-12-29-24(20)23)16-18-5-4-9-25-15-18/h2-10,13-15H,11-12,16-17H2,1H3.
What are the key properties of 7-indol-1-yl-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine?
7-indol-1-yl-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine has a molecular weight of 385.47 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-indol-1-yl-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine is sourced from PubChem (CID 122180274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).