N-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide

C14H15N3O3 — CID 83202693

IUPACN-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(NOC1CCCC1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C14H15N3O3/c18-13-11-8-4-3-7-10(11)12(15-16-13)14(19)17-20-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,16,18)(H,17,19)
InChIKeySRJIDSPHFXHLSA-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.53
Rot. Bonds3

About N-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide

N-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 83202693) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID83202693
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(NOC1CCCC1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C14H15N3O3/c18-13-11-8-4-3-7-10(11)12(15-16-13)14(19)17-20-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,16,18)(H,17,19)
InChIKeySRJIDSPHFXHLSA-UHFFFAOYSA-N
XLogP1.53
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 119591824
N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 95386223
4-oxo-N-(piperidin-3-ylmethyl)-3H-phthalazine-1-carboxamide
CID 71564585
N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43400571
N-[2-(cyclohexylmethyl)pyrazol-3-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 166186565
N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176903
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 95329398
4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-phthalazine-1-carboxamide
CID 5094185
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 27856338
4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide
CID 2374073
N-[2-(2-amino-2-oxoethoxy)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 103767680
N-(cyclooctylideneamino)-4-oxo-3H-phthalazine-1-carboxamide
CID 9177041

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide (CID 83202693) is N-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide is O=C(NOC1CCCC1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is SRJIDSPHFXHLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-13-11-8-4-3-7-10(11)12(15-16-13)14(19)17-20-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,16,18)(H,17,19).
What are the key properties of N-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide?
N-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 83202693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).