N-(4-aminocyclohexyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide;hydrochloride

C17H23ClN4O3 — CID 119476552

IUPACN-(4-aminocyclohexyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1
InChIInChI=1S/C17H22N4O3.ClH/c18-11-5-7-12(8-6-11)19-15(22)9-10-21-17(24)14-4-2-1-3-13(14)16(23)20-21;/h1-4,11-12H,5-10,18H2,(H,19,22)(H,20,23);1H
InChIKeyMECFDDQIYOGLMZ-UHFFFAOYSA-N
MW366.85 g/mol
LogP0.89
Rot. Bonds4

About N-(4-aminocyclohexyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide;hydrochloride

N-(4-aminocyclohexyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide;hydrochloride (PubChem CID 119476552) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide;hydrochloride
PubChem CID119476552
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC NameN-(4-aminocyclohexyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1
InChIInChI=1S/C17H22N4O3.ClH/c18-11-5-7-12(8-6-11)19-15(22)9-10-21-17(24)14-4-2-1-3-13(14)16(23)20-21;/h1-4,11-12H,5-10,18H2,(H,19,22)(H,20,23);1H
InChIKeyMECFDDQIYOGLMZ-UHFFFAOYSA-N
XLogP0.89
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide;hydrochloride (CID 119476552) is N-(4-aminocyclohexyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide;hydrochloride is Cl.NC1CCC(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide;hydrochloride?
The InChIKey is MECFDDQIYOGLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3.ClH/c18-11-5-7-12(8-6-11)19-15(22)9-10-21-17(24)14-4-2-1-3-13(14)16(23)20-21;/h1-4,11-12H,5-10,18H2,(H,19,22)(H,20,23);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide;hydrochloride?
N-(4-aminocyclohexyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119476552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).