tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]carbamate

C22H25N3O4 — CID 157040088

IUPACtert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]carbamate
SMILESCOc1ccc2c(=O)n(C)nc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)c2c1
InChIInChI=1S/C22H25N3O4/c1-22(2,3)29-21(27)23-13-14-6-8-15(9-7-14)19-18-12-16(28-5)10-11-17(18)20(26)25(4)24-19/h6-12H,13H2,1-5H3,(H,23,27)
InChIKeyIKDHEGAJXLUGGM-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.63
Rot. Bonds4

About tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]carbamate

tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]carbamate (PubChem CID 157040088) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]carbamate
PubChem CID157040088
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Nametert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]carbamate
SMILESCOc1ccc2c(=O)n(C)nc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)c2c1
InChIInChI=1S/C22H25N3O4/c1-22(2,3)29-21(27)23-13-14-6-8-15(9-7-14)19-18-12-16(28-5)10-11-17(18)20(26)25(4)24-19/h6-12H,13H2,1-5H3,(H,23,27)
InChIKeyIKDHEGAJXLUGGM-UHFFFAOYSA-N
XLogP3.63
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-N-sulfamoylcarbamate
CID 175357170
tert-butyl N-[[4-(3-methoxy-4-oxophthalazin-1-yl)phenyl]methyl]carbamate
CID 175824331
tert-butyl N-[(3-methyl-4-oxophthalazin-1-yl)methyl]carbamate
CID 71779480
7-methoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine
CID 157040151
tert-butyl N-[[4-[3-[(4-fluorophenyl)methyl]-4-oxophthalazin-1-yl]phenyl]methyl]carbamate
CID 157040236
tert-butyl N-[[4-(6-methoxy-4-oxo-3H-phthalazin-1-yl)phenyl]methylsulfamoyl]carbamate
CID 157040016
tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate
CID 171625964
tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate
CID 134964726
methyl 2-[4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]phenoxy]acetate
CID 91382246
N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1087197
tert-butyl N-[[1,3-bis[(4-methoxyphenyl)methyl]-2,6-dioxopyrimidin-4-yl]methyl]carbamate
CID 67612074
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]carbamate (CID 157040088) is tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]carbamate is COc1ccc2c(=O)n(C)nc(-c3ccc(CNC(=O)OC(C)(C)C)cc3)c2c1.
What is the InChIKey of tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]carbamate?
The InChIKey is IKDHEGAJXLUGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-22(2,3)29-21(27)23-13-14-6-8-15(9-7-14)19-18-12-16(28-5)10-11-17(18)20(26)25(4)24-19/h6-12H,13H2,1-5H3,(H,23,27).
What are the key properties of tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]carbamate?
tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]carbamate has a molecular weight of 395.46 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]carbamate is sourced from PubChem (CID 157040088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).