7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide

C21H24N4O2 — CID 23449614

IUPAC7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C21H24N4O2/c22-13-6-2-1-3-12-19(26)23-16-9-7-8-15(14-16)20-17-10-4-5-11-18(17)21(27)25-24-20/h4-5,7-11,14H,1-3,6,12-13,22H2,(H,23,26)(H,25,27)
InChIKeyQWMLIMGKVBZMGG-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.44
Rot. Bonds8

About 7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide

7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide (PubChem CID 23449614) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide
PubChem CID23449614
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C21H24N4O2/c22-13-6-2-1-3-12-19(26)23-16-9-7-8-15(14-16)20-17-10-4-5-11-18(17)21(27)25-24-20/h4-5,7-11,14H,1-3,6,12-13,22H2,(H,23,26)(H,25,27)
InChIKeyQWMLIMGKVBZMGG-UHFFFAOYSA-N
XLogP3.44
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide
CID 23449483
4-cyano-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide
CID 23449518
5-(tert-butylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449435
5-[ethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449430
N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-thiomorpholin-4-ylpentanamide
CID 23449742
5-(2-methylprop-2-enylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449725
1-(3-aminopropyl)-3-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]thiourea
CID 23449507
2-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 23449590
5-[methyl(2-methylpropyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449597
5-(furan-2-ylmethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide
CID 23449499
5-[2-methoxyethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449543
N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-2-propoxyacetamide
CID 142008536

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide?
The IUPAC name of 7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide (CID 23449614) is 7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide?
The canonical SMILES for 7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide is NCCCCCCC(=O)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1.
What is the InChIKey of 7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide?
The InChIKey is QWMLIMGKVBZMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c22-13-6-2-1-3-12-19(26)23-16-9-7-8-15(14-16)20-17-10-4-5-11-18(17)21(27)25-24-20/h4-5,7-11,14H,1-3,6,12-13,22H2,(H,23,26)(H,25,27).
What are the key properties of 7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide?
7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide has a molecular weight of 364.45 g/mol, XLogP of 3.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide is sourced from PubChem (CID 23449614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).