N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-ethyl-6,7-dimethoxy-4-oxophthalazine-1-carboxamide

C22H23N3O4 — CID 140606612

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-ethyl-6,7-dimethoxy-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)N[C@H]2CCc3ccccc32)c2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C22H23N3O4/c1-4-25-22(27)16-12-19(29-3)18(28-2)11-15(16)20(24-25)21(26)23-17-10-9-13-7-5-6-8-14(13)17/h5-8,11-12,17H,4,9-10H2,1-3H3,(H,23,26)/t17-/m0/s1
InChIKeyPNFVRUNIGZZKII-KRWDZBQOSA-N
MW393.44 g/mol
LogP2.85
Rot. Bonds5

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-ethyl-6,7-dimethoxy-4-oxophthalazine-1-carboxamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-ethyl-6,7-dimethoxy-4-oxophthalazine-1-carboxamide (PubChem CID 140606612) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-ethyl-6,7-dimethoxy-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-ethyl-6,7-dimethoxy-4-oxophthalazine-1-carboxamide
PubChem CID140606612
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-ethyl-6,7-dimethoxy-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)N[C@H]2CCc3ccccc32)c2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C22H23N3O4/c1-4-25-22(27)16-12-19(29-3)18(28-2)11-15(16)20(24-25)21(26)23-17-10-9-13-7-5-6-8-14(13)17/h5-8,11-12,17H,4,9-10H2,1-3H3,(H,23,26)/t17-/m0/s1
InChIKeyPNFVRUNIGZZKII-KRWDZBQOSA-N
XLogP2.85
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-ethyl-6,7-dimethoxy-4-oxophthalazine-1-carboxamide with MolForge

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Related Compounds

(3-ethyl-6,7-dimethoxy-4-oxophthalazin-1-yl) N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
CID 129111420
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
N-(2,3-dihydro-1-benzofuran-3-yl)-6,7-dimethoxy-4-oxo-3-pentan-3-ylphthalazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 158809192
3-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
CID 2677362
methyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-4,5-dimethoxybenzoate
CID 7742229
N-(2,3-dihydro-1H-inden-1-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55493888
3-ethyl-N-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
CID 41139254
4-(2-amino-2-oxoethoxy)-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-methoxybenzamide
CID 51316375
N-(2,3-dihydro-1H-inden-1-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 71824293
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 42924269
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 124841815

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-ethyl-6,7-dimethoxy-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-ethyl-6,7-dimethoxy-4-oxophthalazine-1-carboxamide (CID 140606612) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-ethyl-6,7-dimethoxy-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-ethyl-6,7-dimethoxy-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-ethyl-6,7-dimethoxy-4-oxophthalazine-1-carboxamide is CCn1nc(C(=O)N[C@H]2CCc3ccccc32)c2cc(OC)c(OC)cc2c1=O.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-ethyl-6,7-dimethoxy-4-oxophthalazine-1-carboxamide?
The InChIKey is PNFVRUNIGZZKII-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-4-25-22(27)16-12-19(29-3)18(28-2)11-15(16)20(24-25)21(26)23-17-10-9-13-7-5-6-8-14(13)17/h5-8,11-12,17H,4,9-10H2,1-3H3,(H,23,26)/t17-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-ethyl-6,7-dimethoxy-4-oxophthalazine-1-carboxamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-ethyl-6,7-dimethoxy-4-oxophthalazine-1-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-ethyl-6,7-dimethoxy-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 140606612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).