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

C24H28Cl2N4O2 — CID 23449737

IUPACN-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(cyclopentylamino)pentanamide;hydrochloride
SMILESCl.O=C(CCCCNC1CCCC1)Nc1cc(-c2n[nH]c(=O)c3ccccc23)ccc1Cl
InChIInChI=1S/C24H27ClN4O2.ClH/c25-20-13-12-16(23-18-9-3-4-10-19(18)24(31)29-28-23)15-21(20)27-22(30)11-5-6-14-26-17-7-1-2-8-17;/h3-4,9-10,12-13,15,17,26H,1-2,5-8,11,14H2,(H,27,30)(H,29,31);1H
InChIKeyLFXVXCUZXMNTQS-UHFFFAOYSA-N
MW475.42 g/mol
LogP5.31
Rot. Bonds8

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

N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(cyclopentylamino)pentanamide;hydrochloride (PubChem CID 23449737) has the molecular formula C24H28Cl2N4O2 and a molecular weight of 475.42 g/mol. Its IUPAC name is N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(cyclopentylamino)pentanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(cyclopentylamino)pentanamide;hydrochloride
PubChem CID23449737
Molecular FormulaC24H28Cl2N4O2
Molecular Weight475.42 g/mol
Exact Mass474.16
IUPAC NameN-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(cyclopentylamino)pentanamide;hydrochloride
SMILESCl.O=C(CCCCNC1CCCC1)Nc1cc(-c2n[nH]c(=O)c3ccccc23)ccc1Cl
InChIInChI=1S/C24H27ClN4O2.ClH/c25-20-13-12-16(23-18-9-3-4-10-19(18)24(31)29-28-23)15-21(20)27-22(30)11-5-6-14-26-17-7-1-2-8-17;/h3-4,9-10,12-13,15,17,26H,1-2,5-8,11,14H2,(H,27,30)(H,29,31);1H
InChIKeyLFXVXCUZXMNTQS-UHFFFAOYSA-N
XLogP5.31
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.42
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(cyclopentylamino)pentanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(fluoromethylamino)pentanamide;hydrochloride
CID 142651577
N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(2-methylprop-2-enylamino)pentanamide
CID 23449488
N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-morpholin-4-ylpentanamide;hydrochloride
CID 23449463
N-[2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-pyrrolidin-1-ylpentanamide
CID 23449484
3-(cyclopentylamino)-N-(2,5-dichlorophenyl)propanamide
CID 109013761
5-(tert-butylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449435
5-(2-methylprop-2-enylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449725
7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide
CID 23449614
5-[3-(methoxymethyl)piperidin-1-yl]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449738
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

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(cyclopentylamino)pentanamide;hydrochloride?
The IUPAC name of N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(cyclopentylamino)pentanamide;hydrochloride (CID 23449737) is N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(cyclopentylamino)pentanamide;hydrochloride.
What is the SMILES notation for N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(cyclopentylamino)pentanamide;hydrochloride?
The canonical SMILES for N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(cyclopentylamino)pentanamide;hydrochloride is Cl.O=C(CCCCNC1CCCC1)Nc1cc(-c2n[nH]c(=O)c3ccccc23)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(cyclopentylamino)pentanamide;hydrochloride?
The InChIKey is LFXVXCUZXMNTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2.ClH/c25-20-13-12-16(23-18-9-3-4-10-19(18)24(31)29-28-23)15-21(20)27-22(30)11-5-6-14-26-17-7-1-2-8-17;/h3-4,9-10,12-13,15,17,26H,1-2,5-8,11,14H2,(H,27,30)(H,29,31);1H.
What are the key properties of N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(cyclopentylamino)pentanamide;hydrochloride?
N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(cyclopentylamino)pentanamide;hydrochloride has a molecular weight of 475.42 g/mol, XLogP of 5.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-(cyclopentylamino)pentanamide;hydrochloride is sourced from PubChem (CID 23449737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).