N-(3-amino-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide;hydrochloride

C17H25ClN4O2 — CID 119997836

IUPACN-(3-amino-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide;hydrochloride
SMILESCC(C)Cn1nc(C(=O)NCC(C)CN)c2ccccc2c1=O.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-11(2)10-21-17(23)14-7-5-4-6-13(14)15(20-21)16(22)19-9-12(3)8-18;/h4-7,11-12H,8-10,18H2,1-3H3,(H,19,22);1H
InChIKeyQWHSMYAKKUXDQM-UHFFFAOYSA-N
MW352.87 g/mol
LogP1.80
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide;hydrochloride

N-(3-amino-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide;hydrochloride (PubChem CID 119997836) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide;hydrochloride
PubChem CID119997836
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC NameN-(3-amino-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide;hydrochloride
SMILESCC(C)Cn1nc(C(=O)NCC(C)CN)c2ccccc2c1=O.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-11(2)10-21-17(23)14-7-5-4-6-13(14)15(20-21)16(22)19-9-12(3)8-18;/h4-7,11-12H,8-10,18H2,1-3H3,(H,19,22);1H
InChIKeyQWHSMYAKKUXDQM-UHFFFAOYSA-N
XLogP1.80
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 120653191
4-methyl-2-[[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]methyl]pentanoic acid
CID 119253300
3-(2-methylpropyl)-4-oxo-N-phenylmethoxyphthalazine-1-carboxamide
CID 9227461
N-(2-amino-1-cyclohexylethyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 119591581
N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55575710
3-(2-methylpropyl)-4-oxo-N-(thiophen-2-ylmethyl)phthalazine-1-carboxamide
CID 9320304
3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide
CID 51194000
N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 3944118
3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide
CID 7925968
ethyl 4-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]benzoate
CID 7926438
N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 112836964
N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 134061493

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide;hydrochloride (CID 119997836) is N-(3-amino-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide;hydrochloride is CC(C)Cn1nc(C(=O)NCC(C)CN)c2ccccc2c1=O.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide;hydrochloride?
The InChIKey is QWHSMYAKKUXDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c1-11(2)10-21-17(23)14-7-5-4-6-13(14)15(20-21)16(22)19-9-12(3)8-18;/h4-7,11-12H,8-10,18H2,1-3H3,(H,19,22);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide;hydrochloride?
N-(3-amino-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 119997836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).