5-methoxy-N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide

C28H26N4O4 — CID 14800324

IUPAC5-methoxy-N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
SMILESCOCCN1C(=O)C(NC(=O)c2cc3cc(OC)ccc3[nH]2)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C28H26N4O4/c1-35-15-14-32-24-11-7-6-10-21(24)25(18-8-4-3-5-9-18)30-26(28(32)34)31-27(33)23-17-19-16-20(36-2)12-13-22(19)29-23/h3-13,16-17,26,29H,14-15H2,1-2H3,(H,31,33)
InChIKeyMWBTYDLSXGBUDI-UHFFFAOYSA-N
MW482.54 g/mol
LogP3.76
Rot. Bonds7

About 5-methoxy-N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide

5-methoxy-N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide (PubChem CID 14800324) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is 5-methoxy-N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
PubChem CID14800324
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC Name5-methoxy-N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
SMILESCOCCN1C(=O)C(NC(=O)c2cc3cc(OC)ccc3[nH]2)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C28H26N4O4/c1-35-15-14-32-24-11-7-6-10-21(24)25(18-8-4-3-5-9-18)30-26(28(32)34)31-27(33)23-17-19-16-20(36-2)12-13-22(19)29-23/h3-13,16-17,26,29H,14-15H2,1-2H3,(H,31,33)
InChIKeyMWBTYDLSXGBUDI-UHFFFAOYSA-N
XLogP3.76
TPSA96.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-methoxy-N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide (CID 14800324) is 5-methoxy-N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide is COCCN1C(=O)C(NC(=O)c2cc3cc(OC)ccc3[nH]2)N=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 5-methoxy-N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is MWBTYDLSXGBUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-35-15-14-32-24-11-7-6-10-21(24)25(18-8-4-3-5-9-18)30-26(28(32)34)31-27(33)23-17-19-16-20(36-2)12-13-22(19)29-23/h3-13,16-17,26,29H,14-15H2,1-2H3,(H,31,33).
What are the key properties of 5-methoxy-N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide?
5-methoxy-N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 14800324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).