N-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine

C20H22N4O — CID 6416457

IUPACN-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine
SMILESc1ccc(-c2nnc(NCCN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C20H22N4O/c1-2-6-16(7-3-1)19-17-8-4-5-9-18(17)20(23-22-19)21-10-11-24-12-14-25-15-13-24/h1-9H,10-15H2,(H,21,23)
InChIKeyHPKAKIRQDBLGIU-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.04
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine

N-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine (PubChem CID 6416457) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine
PubChem CID6416457
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine
SMILESc1ccc(-c2nnc(NCCN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C20H22N4O/c1-2-6-16(7-3-1)19-17-8-4-5-9-18(17)20(23-22-19)21-10-11-24-12-14-25-15-13-24/h1-9H,10-15H2,(H,21,23)
InChIKeyHPKAKIRQDBLGIU-UHFFFAOYSA-N
XLogP3.04
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine
CID 13218688
4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine
CID 62141191
3-N-(2-morpholin-4-ylethyl)-6-phenylpyridazine-3,4-diamine;hydrochloride
CID 45262908
3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid
CID 15678720
4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine
CID 60659900
6-chloro-4-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4,5-diamine
CID 89282935
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 20963131
4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,3-thiazol-2-amine
CID 10250107
N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
N-(2-morpholin-4-ylethyl)-2-[2-(2-morpholin-4-ylethylamino)phenyl]quinazolin-4-amine
CID 59213424
N-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56758389
N-(2-morpholin-4-ylethyl)-[1]benzofuro[3,2-b]quinolin-11-amine
CID 11660269

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine (CID 6416457) is N-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine is c1ccc(-c2nnc(NCCN3CCOCC3)c3ccccc23)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine?
The InChIKey is HPKAKIRQDBLGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-6-16(7-3-1)19-17-8-4-5-9-18(17)20(23-22-19)21-10-11-24-12-14-25-15-13-24/h1-9H,10-15H2,(H,21,23).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine?
N-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine has a molecular weight of 334.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine is sourced from PubChem (CID 6416457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).