1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea

C19H14N4O3 — CID 27190754

IUPAC1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea
SMILESO=C(Nc1cccc2ccccc12)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C19H14N4O3/c24-17-13-8-4-10-15(16(13)18(25)23-22-17)21-19(26)20-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H,22,24)(H,23,25)(H2,20,21,26)
InChIKeyHZCKGWQNTLTKFD-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.01
Rot. Bonds2

About 1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea

1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea (PubChem CID 27190754) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea
PubChem CID27190754
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Name1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea
SMILESO=C(Nc1cccc2ccccc12)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C19H14N4O3/c24-17-13-8-4-10-15(16(13)18(25)23-22-17)21-19(26)20-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H,22,24)(H,23,25)(H2,20,21,26)
InChIKeyHZCKGWQNTLTKFD-UHFFFAOYSA-N
XLogP3.01
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-propylurea
CID 110749128
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
4-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide
CID 60651857
4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide
CID 24709508
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-oxobutanamide
CID 21449705
5-(hydroxymethylamino)-2,3-dihydrophthalazine-1,4-dione
CID 11521306
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide
CID 110734418
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(methylamino)propanamide
CID 62639645
5-(bromoamino)-2,3-dihydrophthalazine-1,4-dione
CID 11586922
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea (CID 27190754) is 1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea is O=C(Nc1cccc2ccccc12)Nc1cccc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of 1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea?
The InChIKey is HZCKGWQNTLTKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c24-17-13-8-4-10-15(16(13)18(25)23-22-17)21-19(26)20-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H,22,24)(H,23,25)(H2,20,21,26).
What are the key properties of 1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea?
1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea has a molecular weight of 346.35 g/mol, XLogP of 3.01, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 27190754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).