methyl N-[6-[2-ethoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate

C27H24N4O4 — CID 159920353

IUPACmethyl N-[6-[2-ethoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate
SMILESCCOc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1-c1ccc2c(c1)N=C(NC(=O)OC)C2
InChIInChI=1S/C27H24N4O4/c1-3-35-24-11-8-16(13-23-19-6-4-5-7-20(19)26(32)31-30-23)12-21(24)17-9-10-18-15-25(28-22(18)14-17)29-27(33)34-2/h4-12,14H,3,13,15H2,1-2H3,(H,31,32)(H,28,29,33)
InChIKeyNYHWKDYXFOGSIG-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.52
Rot. Bonds5

About methyl N-[6-[2-ethoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate

methyl N-[6-[2-ethoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate (PubChem CID 159920353) has the molecular formula C27H24N4O4 and a molecular weight of 468.51 g/mol. Its IUPAC name is methyl N-[6-[2-ethoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-[2-ethoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate
PubChem CID159920353
Molecular FormulaC27H24N4O4
Molecular Weight468.51 g/mol
Exact Mass468.18
IUPAC Namemethyl N-[6-[2-ethoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate
SMILESCCOc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1-c1ccc2c(c1)N=C(NC(=O)OC)C2
InChIInChI=1S/C27H24N4O4/c1-3-35-24-11-8-16(13-23-19-6-4-5-7-20(19)26(32)31-30-23)12-21(24)17-9-10-18-15-25(28-22(18)14-17)29-27(33)34-2/h4-12,14H,3,13,15H2,1-2H3,(H,31,32)(H,28,29,33)
InChIKeyNYHWKDYXFOGSIG-UHFFFAOYSA-N
XLogP4.52
TPSA105.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl N-[6-[2-ethoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate with MolForge

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Related Compounds

methyl N-[6-[4-fluoro-3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate
CID 159542896
2,2-difluoroethyl N-[6-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate
CID 159279664
oxetan-3-yl N-[6-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate
CID 160737624
1-[2-(dimethylamino)ethyl]-3-[6-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]urea
CID 148789385
1-ethyl-3-[6-[4-fluoro-2-methoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]urea
CID 160585947
1-ethyl-3-[6-[2-fluoro-5-[(7-methyl-4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]urea
CID 158872406
1-ethyl-3-[5-[5-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-3-yl]-3H-indol-2-yl]urea
CID 158853273
N'-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-N-(2-methoxyphenyl)pentanediamide
CID 71483989
4-[[4-fluoro-3-[2-(methylamino)-3H-benzimidazol-5-yl]phenyl]methyl]-2H-phthalazin-1-one
CID 166667486
ethyl N-[6-[2-methoxy-5-[(4-oxo-6,7-dihydro-3H-phthalazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]carbamate
CID 170214939
2-fluoro-N-(3-methoxycyclobutyl)-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 153339035
4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one
CID 148786436

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-[2-ethoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate?
The IUPAC name of methyl N-[6-[2-ethoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate (CID 159920353) is methyl N-[6-[2-ethoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate.
What is the SMILES notation for methyl N-[6-[2-ethoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate?
The canonical SMILES for methyl N-[6-[2-ethoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate is CCOc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1-c1ccc2c(c1)N=C(NC(=O)OC)C2.
What is the InChIKey of methyl N-[6-[2-ethoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate?
The InChIKey is NYHWKDYXFOGSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O4/c1-3-35-24-11-8-16(13-23-19-6-4-5-7-20(19)26(32)31-30-23)12-21(24)17-9-10-18-15-25(28-22(18)14-17)29-27(33)34-2/h4-12,14H,3,13,15H2,1-2H3,(H,31,32)(H,28,29,33).
What are the key properties of methyl N-[6-[2-ethoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate?
methyl N-[6-[2-ethoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate has a molecular weight of 468.51 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-[2-ethoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate is sourced from PubChem (CID 159920353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).