1-[4-[(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)amino]phenyl]-1-(2-methoxyethyl)urea

C24H26N4O4 — CID 70033512

IUPAC1-[4-[(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)amino]phenyl]-1-(2-methoxyethyl)urea
SMILESCOCCN(C(N)=O)c1ccc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H26N4O4/c1-32-15-14-28(24(25)31)17-10-8-16(9-11-17)26-20-21(27-12-4-5-13-27)23(30)19-7-3-2-6-18(19)22(20)29/h2-3,6-11,26H,4-5,12-15H2,1H3,(H2,25,31)
InChIKeyNPXKFMZBVUWCRM-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.02
Rot. Bonds7

About 1-[4-[(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)amino]phenyl]-1-(2-methoxyethyl)urea

1-[4-[(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)amino]phenyl]-1-(2-methoxyethyl)urea (PubChem CID 70033512) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-[4-[(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)amino]phenyl]-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[4-[(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)amino]phenyl]-1-(2-methoxyethyl)urea
PubChem CID70033512
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name1-[4-[(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)amino]phenyl]-1-(2-methoxyethyl)urea
SMILESCOCCN(C(N)=O)c1ccc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H26N4O4/c1-32-15-14-28(24(25)31)17-10-8-16(9-11-17)26-20-21(27-12-4-5-13-27)23(30)19-7-3-2-6-18(19)22(20)29/h2-3,6-11,26H,4-5,12-15H2,1H3,(H2,25,31)
InChIKeyNPXKFMZBVUWCRM-UHFFFAOYSA-N
XLogP3.02
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(diethylamino)anilino]-3-piperidin-1-ylnaphthalene-1,4-dione
CID 40524529
methane;2-(4-methylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione
CID 159705780
2-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]anilino]-3-pyrrolidin-1-ylnaphthalene-1,4-dione
CID 5339647
methyl 2-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]benzoate
CID 4245334
2-(4-chloroanilino)-3-piperidin-1-ylnaphthalene-1,4-dione
CID 2847809
ethyl N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)carbamate
CID 4154822
2-methoxy-N-(2-methoxyethyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide
CID 11632476
2-[4-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoyl]anilino]-3-piperidin-1-ylnaphthalene-1,4-dione
CID 5380098
2-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]anilino]-3-piperidin-1-ylnaphthalene-1,4-dione
CID 635448
N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)sulfamoyl]phenyl]acetamide
CID 3594745
methyl N-[6-(3,4-difluoroanilino)-5,8-dioxo-7-pyrrolidin-1-ylnaphthalen-2-yl]carbamate
CID 59123890
N-(1-methoxypropan-2-yl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25037815

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)amino]phenyl]-1-(2-methoxyethyl)urea?
The IUPAC name of 1-[4-[(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)amino]phenyl]-1-(2-methoxyethyl)urea (CID 70033512) is 1-[4-[(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)amino]phenyl]-1-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[4-[(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)amino]phenyl]-1-(2-methoxyethyl)urea?
The canonical SMILES for 1-[4-[(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)amino]phenyl]-1-(2-methoxyethyl)urea is COCCN(C(N)=O)c1ccc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 1-[4-[(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)amino]phenyl]-1-(2-methoxyethyl)urea?
The InChIKey is NPXKFMZBVUWCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-32-15-14-28(24(25)31)17-10-8-16(9-11-17)26-20-21(27-12-4-5-13-27)23(30)19-7-3-2-6-18(19)22(20)29/h2-3,6-11,26H,4-5,12-15H2,1H3,(H2,25,31).
What are the key properties of 1-[4-[(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)amino]phenyl]-1-(2-methoxyethyl)urea?
1-[4-[(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)amino]phenyl]-1-(2-methoxyethyl)urea has a molecular weight of 434.50 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)amino]phenyl]-1-(2-methoxyethyl)urea is sourced from PubChem (CID 70033512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).