4-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)phthalazin-1-amine

C19H18ClN3O — CID 165025420

IUPAC4-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)phthalazin-1-amine
SMILESClc1ccc(-c2nnc(NCC3CCOC3)c3ccccc23)cc1
InChIInChI=1S/C19H18ClN3O/c20-15-7-5-14(6-8-15)18-16-3-1-2-4-17(16)19(23-22-18)21-11-13-9-10-24-12-13/h1-8,13H,9-12H2,(H,21,23)
InChIKeyLUPZQGHFDDDZAD-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.40
Rot. Bonds4

About 4-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)phthalazin-1-amine

4-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)phthalazin-1-amine (PubChem CID 165025420) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)phthalazin-1-amine
PubChem CID165025420
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name4-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)phthalazin-1-amine
SMILESClc1ccc(-c2nnc(NCC3CCOC3)c3ccccc23)cc1
InChIInChI=1S/C19H18ClN3O/c20-15-7-5-14(6-8-15)18-16-3-1-2-4-17(16)19(23-22-18)21-11-13-9-10-24-12-13/h1-8,13H,9-12H2,(H,21,23)
InChIKeyLUPZQGHFDDDZAD-UHFFFAOYSA-N
XLogP4.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonyl)-6-chloro-N-[[(3R)-oxolan-3-yl]methyl]pyridazin-3-amine
CID 169090365
1-(oxolan-3-ylmethylamino)isoquinoline-4-carboxylic acid
CID 106766978
2,5-dichloro-N-(oxolan-3-ylmethyl)aniline
CID 43191026
1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343
6-chloro-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine
CID 115474100
3-(oxolan-3-ylmethylamino)pyridazine-4-carbothioamide
CID 80511281
4-(4-chlorophenyl)-N-(3-methoxycyclobutyl)phthalazin-1-amine
CID 169230232
2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 715619
8-bromo-N-[[(3R)-oxolan-3-yl]methyl]quinazolin-4-amine
CID 94415325
2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321534
4-(4-chlorophenyl)-N-[1-(2-fluoroethyl)piperidin-3-yl]phthalazin-1-amine
CID 169230288
4-(4-chlorophenyl)phthalazin-1-olate
CID 143625542

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)phthalazin-1-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)phthalazin-1-amine (CID 165025420) is 4-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)phthalazin-1-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)phthalazin-1-amine is Clc1ccc(-c2nnc(NCC3CCOC3)c3ccccc23)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)phthalazin-1-amine?
The InChIKey is LUPZQGHFDDDZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-15-7-5-14(6-8-15)18-16-3-1-2-4-17(16)19(23-22-18)21-11-13-9-10-24-12-13/h1-8,13H,9-12H2,(H,21,23).
What are the key properties of 4-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)phthalazin-1-amine?
4-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)phthalazin-1-amine has a molecular weight of 339.83 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 165025420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).