(3-ethyl-6,7-dimethoxy-4-oxophthalazin-1-yl) N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate

C23H25N3O5 — CID 129111420

IUPAC(3-ethyl-6,7-dimethoxy-4-oxophthalazin-1-yl) N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
SMILESCCn1nc(OC(=O)NC2CCCc3ccccc32)c2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C23H25N3O5/c1-4-26-22(27)17-13-20(30-3)19(29-2)12-16(17)21(25-26)31-23(28)24-18-11-7-9-14-8-5-6-10-15(14)18/h5-6,8,10,12-13,18H,4,7,9,11H2,1-3H3,(H,24,28)
InChIKeyXDGCOSZDOWZZSR-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.60
Rot. Bonds5

About (3-ethyl-6,7-dimethoxy-4-oxophthalazin-1-yl) N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate

(3-ethyl-6,7-dimethoxy-4-oxophthalazin-1-yl) N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate (PubChem CID 129111420) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is (3-ethyl-6,7-dimethoxy-4-oxophthalazin-1-yl) N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate.

Molecular Properties

Compound Name(3-ethyl-6,7-dimethoxy-4-oxophthalazin-1-yl) N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
PubChem CID129111420
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name(3-ethyl-6,7-dimethoxy-4-oxophthalazin-1-yl) N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
SMILESCCn1nc(OC(=O)NC2CCCc3ccccc32)c2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C23H25N3O5/c1-4-26-22(27)17-13-20(30-3)19(29-2)12-16(17)21(25-26)31-23(28)24-18-11-7-9-14-8-5-6-10-15(14)18/h5-6,8,10,12-13,18H,4,7,9,11H2,1-3H3,(H,24,28)
InChIKeyXDGCOSZDOWZZSR-UHFFFAOYSA-N
XLogP3.60
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-ethyl-6,7-dimethoxy-4-oxophthalazine-1-carboxamide
CID 140606612
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4826101
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710167
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4881709
N-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-1-oxo-2-pentan-3-ylisoquinoline-4-carboxamide
CID 71522645
3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
CID 2472792
2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 43889355
2-(2-methoxy-4-methylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2636502
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8551194
(2-ethyl-6,7-dimethoxy-1-oxoisoquinolin-4-yl) N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamate
CID 129111434
2-(2-chloro-4,5-dimethoxyanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 42893836
3-ethyl-N-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
CID 41139254

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-6,7-dimethoxy-4-oxophthalazin-1-yl) N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate?
The IUPAC name of (3-ethyl-6,7-dimethoxy-4-oxophthalazin-1-yl) N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate (CID 129111420) is (3-ethyl-6,7-dimethoxy-4-oxophthalazin-1-yl) N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate.
What is the SMILES notation for (3-ethyl-6,7-dimethoxy-4-oxophthalazin-1-yl) N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate?
The canonical SMILES for (3-ethyl-6,7-dimethoxy-4-oxophthalazin-1-yl) N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate is CCn1nc(OC(=O)NC2CCCc3ccccc32)c2cc(OC)c(OC)cc2c1=O.
What is the InChIKey of (3-ethyl-6,7-dimethoxy-4-oxophthalazin-1-yl) N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate?
The InChIKey is XDGCOSZDOWZZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-4-26-22(27)17-13-20(30-3)19(29-2)12-16(17)21(25-26)31-23(28)24-18-11-7-9-14-8-5-6-10-15(14)18/h5-6,8,10,12-13,18H,4,7,9,11H2,1-3H3,(H,24,28).
What are the key properties of (3-ethyl-6,7-dimethoxy-4-oxophthalazin-1-yl) N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate?
(3-ethyl-6,7-dimethoxy-4-oxophthalazin-1-yl) N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate has a molecular weight of 423.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-6,7-dimethoxy-4-oxophthalazin-1-yl) N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate is sourced from PubChem (CID 129111420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).