N-(1,3-dihydroinden-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide

C20H18N4O2 — CID 9463081

IUPACN-(1,3-dihydroinden-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)NN=C2Cc3ccccc3C2)c2ccccc2c1=O
InChIInChI=1S/C20H18N4O2/c1-2-24-20(26)17-10-6-5-9-16(17)18(23-24)19(25)22-21-15-11-13-7-3-4-8-14(13)12-15/h3-10H,2,11-12H2,1H3,(H,22,25)
InChIKeyNBCWGBRHRUNAFA-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.30
Rot. Bonds3

About N-(1,3-dihydroinden-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide

N-(1,3-dihydroinden-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide (PubChem CID 9463081) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(1,3-dihydroinden-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroinden-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide
PubChem CID9463081
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-(1,3-dihydroinden-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)NN=C2Cc3ccccc3C2)c2ccccc2c1=O
InChIInChI=1S/C20H18N4O2/c1-2-24-20(26)17-10-6-5-9-16(17)18(23-24)19(25)22-21-15-11-13-7-3-4-8-14(13)12-15/h3-10H,2,11-12H2,1H3,(H,22,25)
InChIKeyNBCWGBRHRUNAFA-UHFFFAOYSA-N
XLogP2.30
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]piperidine-1-carboxylate
CID 9462986
N-[(Z)-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 9462821
3-ethyl-N-[(Z)-2-methylpentan-3-ylideneamino]-4-oxophthalazine-1-carboxamide
CID 9462939
N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9410888
N-(1,3-diphenylpropan-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 18271120
3-ethyl-N-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-4-oxophthalazine-1-carboxamide
CID 135836981
3-benzyl-N-(cycloheptylideneamino)-4-oxophthalazine-1-carboxamide
CID 4002441
3-ethyl-4-oxophthalazine-1-carboxylate
CID 2388830
4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one
CID 26925219
3-ethyl-4-oxo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]phthalazine-1-carboxamide
CID 9462786
3-ethyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-oxophthalazine-1-carboxamide
CID 9150107
3-ethyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide
CID 9462962

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroinden-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(1,3-dihydroinden-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide (CID 9463081) is N-(1,3-dihydroinden-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(1,3-dihydroinden-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(1,3-dihydroinden-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide is CCn1nc(C(=O)NN=C2Cc3ccccc3C2)c2ccccc2c1=O.
What is the InChIKey of N-(1,3-dihydroinden-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide?
The InChIKey is NBCWGBRHRUNAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-2-24-20(26)17-10-6-5-9-16(17)18(23-24)19(25)22-21-15-11-13-7-3-4-8-14(13)12-15/h3-10H,2,11-12H2,1H3,(H,22,25).
What are the key properties of N-(1,3-dihydroinden-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide?
N-(1,3-dihydroinden-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroinden-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 9463081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).