N-(4-ethyloxan-4-yl)-4-oxo-3H-phthalazine-1-carboxamide

C16H19N3O3 — CID 146123703

IUPACN-(4-ethyloxan-4-yl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCCC1(NC(=O)c2n[nH]c(=O)c3ccccc23)CCOCC1
InChIInChI=1S/C16H19N3O3/c1-2-16(7-9-22-10-8-16)17-15(21)13-11-5-3-4-6-12(11)14(20)19-18-13/h3-6H,2,7-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyRWLPTQZZAGNYNO-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.61
Rot. Bonds3

About N-(4-ethyloxan-4-yl)-4-oxo-3H-phthalazine-1-carboxamide

N-(4-ethyloxan-4-yl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 146123703) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(4-ethyloxan-4-yl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethyloxan-4-yl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID146123703
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(4-ethyloxan-4-yl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCCC1(NC(=O)c2n[nH]c(=O)c3ccccc23)CCOCC1
InChIInChI=1S/C16H19N3O3/c1-2-16(7-9-22-10-8-16)17-15(21)13-11-5-3-4-6-12(11)14(20)19-18-13/h3-6H,2,7-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyRWLPTQZZAGNYNO-UHFFFAOYSA-N
XLogP1.61
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyloxolan-3-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 115769146
N-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 119643507
methyl 2-(oxan-4-yl)-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]propanoate
CID 166198112
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 9143979
N-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43429946
(2S)-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]pentanoic acid
CID 107564057
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 39938891
N-[(2R)-2-hydroxypropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 83031398
N'-(2-methylbutanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 134012030
N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 756039
N-(4-hydroxy-2,2-dimethylpentyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 111480109
N-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide
CID 62201020

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyloxan-4-yl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(4-ethyloxan-4-yl)-4-oxo-3H-phthalazine-1-carboxamide (CID 146123703) is N-(4-ethyloxan-4-yl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(4-ethyloxan-4-yl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(4-ethyloxan-4-yl)-4-oxo-3H-phthalazine-1-carboxamide is CCC1(NC(=O)c2n[nH]c(=O)c3ccccc23)CCOCC1.
What is the InChIKey of N-(4-ethyloxan-4-yl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is RWLPTQZZAGNYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-16(7-9-22-10-8-16)17-15(21)13-11-5-3-4-6-12(11)14(20)19-18-13/h3-6H,2,7-10H2,1H3,(H,17,21)(H,19,20).
What are the key properties of N-(4-ethyloxan-4-yl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(4-ethyloxan-4-yl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyloxan-4-yl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 146123703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).