4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine

C15H19ClN4O — CID 62141191

IUPAC4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine
SMILESClc1nnc(NCCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C15H19ClN4O/c16-14-12-4-1-2-5-13(12)15(19-18-14)17-6-3-7-20-8-10-21-11-9-20/h1-2,4-5H,3,6-11H2,(H,17,19)
InChIKeyPNUHBIULWKRZKT-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.42
Rot. Bonds5

About 4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine

4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine (PubChem CID 62141191) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine
PubChem CID62141191
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine
SMILESClc1nnc(NCCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C15H19ClN4O/c16-14-12-4-1-2-5-13(12)15(19-18-14)17-6-3-7-20-8-10-21-11-9-20/h1-2,4-5H,3,6-11H2,(H,17,19)
InChIKeyPNUHBIULWKRZKT-UHFFFAOYSA-N
XLogP2.42
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 22692931
6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine
CID 55169476
3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine
CID 81035323
N-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine
CID 6416457
N-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-4-chlorobenzo[g]phthalazin-1-amine
CID 46913318
2-hydrazinyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 66572559
8-chloro-N-(3-morpholin-4-ylpropyl)cinnolin-4-amine
CID 20922967
2-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]quinazolin-5-amine
CID 34044453
4-[(4-chlorophthalazin-1-yl)amino]butanamide
CID 62141912
5-(3-morpholin-4-ylpropylamino)quinazolino[2,3-a]phthalazin-8-one
CID 2325577
N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 61340085
6-chloro-5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 63729586

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine?
The IUPAC name of 4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine (CID 62141191) is 4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine?
The canonical SMILES for 4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine is Clc1nnc(NCCCN2CCOCC2)c2ccccc12.
What is the InChIKey of 4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine?
The InChIKey is PNUHBIULWKRZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c16-14-12-4-1-2-5-13(12)15(19-18-14)17-6-3-7-20-8-10-21-11-9-20/h1-2,4-5H,3,6-11H2,(H,17,19).
What are the key properties of 4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine?
4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine has a molecular weight of 306.80 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine is sourced from PubChem (CID 62141191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).