N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine

C22H18N4O2 — CID 122175740

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
SMILESc1cncc(Cc2nnc(Nc3ccc4c(c3)OCCO4)c3ccccc23)c1
InChIInChI=1S/C22H18N4O2/c1-2-6-18-17(5-1)19(12-15-4-3-9-23-14-15)25-26-22(18)24-16-7-8-20-21(13-16)28-11-10-27-20/h1-9,13-14H,10-12H2,(H,24,26)
InChIKeySIPZGTNXUFIWDA-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.13
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine (PubChem CID 122175740) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
PubChem CID122175740
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
SMILESc1cncc(Cc2nnc(Nc3ccc4c(c3)OCCO4)c3ccccc23)c1
InChIInChI=1S/C22H18N4O2/c1-2-6-18-17(5-1)19(12-15-4-3-9-23-14-15)25-26-22(18)24-16-7-8-20-21(13-16)28-11-10-27-20/h1-9,13-14H,10-12H2,(H,24,26)
InChIKeySIPZGTNXUFIWDA-UHFFFAOYSA-N
XLogP4.13
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
CID 53298155
N-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
CID 20875720
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999581
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-bis(pyridin-3-ylmethyl)methanamine
CID 23766878
N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;ethane
CID 91595451
3-(1,3-benzodioxol-5-ylmethyl)pyridine
CID 173231937
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(pyridin-3-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine
CID 5147146
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 7922988
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine
CID 79915694
N-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide
CID 22741957
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-methyl-4-(pyridin-3-ylmethylamino)pyrazol-5-yl]-1,3,4-oxadiazol-2-amine
CID 46889304
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19146525

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine (CID 122175740) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine is c1cncc(Cc2nnc(Nc3ccc4c(c3)OCCO4)c3ccccc23)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine?
The InChIKey is SIPZGTNXUFIWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-2-6-18-17(5-1)19(12-15-4-3-9-23-14-15)25-26-22(18)24-16-7-8-20-21(13-16)28-11-10-27-20/h1-9,13-14H,10-12H2,(H,24,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine has a molecular weight of 370.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 122175740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).