1-(3-methoxyphenyl)-3-[4-[[4-[(4-methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]urea

C30H27N5O3 — CID 127033213

IUPAC1-(3-methoxyphenyl)-3-[4-[[4-[(4-methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]urea
SMILESCOc1ccc(Cc2nnc(Nc3ccc(NC(=O)Nc4cccc(OC)c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C30H27N5O3/c1-37-24-16-10-20(11-17-24)18-28-26-8-3-4-9-27(26)29(35-34-28)31-21-12-14-22(15-13-21)32-30(36)33-23-6-5-7-25(19-23)38-2/h3-17,19H,18H2,1-2H3,(H,31,35)(H2,32,33,36)
InChIKeyROHUTABMYMEGTC-UHFFFAOYSA-N
MW505.58 g/mol
LogP6.63
Rot. Bonds8

About 1-(3-methoxyphenyl)-3-[4-[[4-[(4-methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]urea

1-(3-methoxyphenyl)-3-[4-[[4-[(4-methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]urea (PubChem CID 127033213) has the molecular formula C30H27N5O3 and a molecular weight of 505.58 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[4-[[4-[(4-methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[4-[[4-[(4-methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]urea
PubChem CID127033213
Molecular FormulaC30H27N5O3
Molecular Weight505.58 g/mol
Exact Mass505.21
IUPAC Name1-(3-methoxyphenyl)-3-[4-[[4-[(4-methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]urea
SMILESCOc1ccc(Cc2nnc(Nc3ccc(NC(=O)Nc4cccc(OC)c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C30H27N5O3/c1-37-24-16-10-20(11-17-24)18-28-26-8-3-4-9-27(26)29(35-34-28)31-21-12-14-22(15-13-21)32-30(36)33-23-6-5-7-25(19-23)38-2/h3-17,19H,18H2,1-2H3,(H,31,35)(H2,32,33,36)
InChIKeyROHUTABMYMEGTC-UHFFFAOYSA-N
XLogP6.63
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.58
LogP ≤ 56.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(3-methoxyphenyl)-3-[4-[[4-[(4-methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]urea with MolForge

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Related Compounds

1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide
CID 22741957
3-methoxy-N-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]benzamide
CID 151671249
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
4-[(3-methoxyphenyl)carbamoylamino]-N-methylbenzamide
CID 17180805
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
3-[(4-methoxyphenyl)carbamoylamino]benzamide
CID 572736
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151
1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 53204450
1-[4-[4-benzyl-5-[1-(4-methoxyphenyl)ethyl]-1,2,4-triazol-3-yl]phenyl]-3-(3-methoxyphenyl)urea
CID 175069677

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[4-[[4-[(4-methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[4-[[4-[(4-methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]urea (CID 127033213) is 1-(3-methoxyphenyl)-3-[4-[[4-[(4-methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[4-[[4-[(4-methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[4-[[4-[(4-methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]urea is COc1ccc(Cc2nnc(Nc3ccc(NC(=O)Nc4cccc(OC)c4)cc3)c3ccccc23)cc1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[4-[[4-[(4-methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]urea?
The InChIKey is ROHUTABMYMEGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O3/c1-37-24-16-10-20(11-17-24)18-28-26-8-3-4-9-27(26)29(35-34-28)31-21-12-14-22(15-13-21)32-30(36)33-23-6-5-7-25(19-23)38-2/h3-17,19H,18H2,1-2H3,(H,31,35)(H2,32,33,36).
What are the key properties of 1-(3-methoxyphenyl)-3-[4-[[4-[(4-methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]urea?
1-(3-methoxyphenyl)-3-[4-[[4-[(4-methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]urea has a molecular weight of 505.58 g/mol, XLogP of 6.63, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[4-[[4-[(4-methoxyphenyl)methyl]phthalazin-1-yl]amino]phenyl]urea is sourced from PubChem (CID 127033213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).