N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide;hydrochloride

C23H26Cl2N4O3 — CID 23449463

IUPACN-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide;hydrochloride
SMILESCl.O=C(CCCCN1CCOCC1)Nc1cc(-c2n[nH]c(=O)c3ccccc23)ccc1Cl
InChIInChI=1S/C23H25ClN4O3.ClH/c24-19-9-8-16(22-17-5-1-2-6-18(17)23(30)27-26-22)15-20(19)25-21(29)7-3-4-10-28-11-13-31-14-12-28;/h1-2,5-6,8-9,15H,3-4,7,10-14H2,(H,25,29)(H,27,30);1H
InChIKeyINKAVCDBPAAUSU-UHFFFAOYSA-N
MW477.39 g/mol
LogP4.11
Rot. Bonds7

About N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide;hydrochloride

N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide;hydrochloride (PubChem CID 23449463) has the molecular formula C23H26Cl2N4O3 and a molecular weight of 477.39 g/mol. Its IUPAC name is N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide;hydrochloride
PubChem CID23449463
Molecular FormulaC23H26Cl2N4O3
Molecular Weight477.39 g/mol
Exact Mass476.14
IUPAC NameN-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide;hydrochloride
SMILESCl.O=C(CCCCN1CCOCC1)Nc1cc(-c2n[nH]c(=O)c3ccccc23)ccc1Cl
InChIInChI=1S/C23H25ClN4O3.ClH/c24-19-9-8-16(22-17-5-1-2-6-18(17)23(30)27-26-22)15-20(19)25-21(29)7-3-4-10-28-11-13-31-14-12-28;/h1-2,5-6,8-9,15H,3-4,7,10-14H2,(H,25,29)(H,27,30);1H
InChIKeyINKAVCDBPAAUSU-UHFFFAOYSA-N
XLogP4.11
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.39
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-pyrrolidin-1-ylpentanamide
CID 23449484
N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(fluoromethylamino)pentanamide;hydrochloride
CID 142651577
N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(cyclopentylamino)pentanamide;hydrochloride
CID 23449737
N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(cyclohexylamino)pentanamide
CID 23449476
N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(2-methylprop-2-enylamino)pentanamide
CID 23449488
N-[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-4-morpholin-4-ylbutane-1-sulfonamide
CID 23449520
N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-thiomorpholin-4-ylpentanamide
CID 23449742
2-(2-morpholin-4-ylethylsulfanyl)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]acetamide
CID 23449429
1-(2-morpholin-4-ylethyl)-3-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]thiourea;hydrochloride
CID 23449447
4-[4-(2-morpholin-4-ylethylamino)-3-nitrophenyl]-2H-phthalazin-1-one
CID 3530220
5-[3-(methoxymethyl)piperidin-1-yl]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449738
3-morpholin-4-yl-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide
CID 66965535

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide;hydrochloride?
The IUPAC name of N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide;hydrochloride (CID 23449463) is N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide;hydrochloride.
What is the SMILES notation for N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide;hydrochloride?
The canonical SMILES for N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide;hydrochloride is Cl.O=C(CCCCN1CCOCC1)Nc1cc(-c2n[nH]c(=O)c3ccccc23)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide;hydrochloride?
The InChIKey is INKAVCDBPAAUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3.ClH/c24-19-9-8-16(22-17-5-1-2-6-18(17)23(30)27-26-22)15-20(19)25-21(29)7-3-4-10-28-11-13-31-14-12-28;/h1-2,5-6,8-9,15H,3-4,7,10-14H2,(H,25,29)(H,27,30);1H.
What are the key properties of N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide;hydrochloride?
N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide;hydrochloride has a molecular weight of 477.39 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide;hydrochloride is sourced from PubChem (CID 23449463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).