1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea

C23H25N5O4 — CID 166206329

IUPAC1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea
SMILESCC(=O)N1CCCc2cc(NC(=O)NCc3cccc(C4(C)NC(=O)NC4=O)c3)ccc21
InChIInChI=1S/C23H25N5O4/c1-14(29)28-10-4-6-16-12-18(8-9-19(16)28)25-21(31)24-13-15-5-3-7-17(11-15)23(2)20(30)26-22(32)27-23/h3,5,7-9,11-12H,4,6,10,13H2,1-2H3,(H2,24,25,31)(H2,26,27,30,32)
InChIKeySFNARPBQMVDPLZ-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.36
Rot. Bonds4

About 1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea

1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea (PubChem CID 166206329) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea
PubChem CID166206329
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea
SMILESCC(=O)N1CCCc2cc(NC(=O)NCc3cccc(C4(C)NC(=O)NC4=O)c3)ccc21
InChIInChI=1S/C23H25N5O4/c1-14(29)28-10-4-6-16-12-18(8-9-19(16)28)25-21(31)24-13-15-5-3-7-17(11-15)23(2)20(30)26-22(32)27-23/h3,5,7-9,11-12H,4,6,10,13H2,1-2H3,(H2,24,25,31)(H2,26,27,30,32)
InChIKeySFNARPBQMVDPLZ-UHFFFAOYSA-N
XLogP2.36
TPSA119.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid
CID 122078494
1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-[3-(4-methylpyrimidin-2-yl)phenyl]urea
CID 166208148
N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
CID 166231958
N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 7656803
1-[(4-fluorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30373655
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 52502832
3-(4-acetyltriazol-1-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]azetidine-1-carboxamide
CID 154849351
1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 53089926
acetic acid;5-[3-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione
CID 162338446
1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-benzylurea
CID 30374124
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-methylpropyl)oxamide
CID 7657049

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea?
The IUPAC name of 1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea (CID 166206329) is 1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea?
The canonical SMILES for 1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea is CC(=O)N1CCCc2cc(NC(=O)NCc3cccc(C4(C)NC(=O)NC4=O)c3)ccc21.
What is the InChIKey of 1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea?
The InChIKey is SFNARPBQMVDPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-14(29)28-10-4-6-16-12-18(8-9-19(16)28)25-21(31)24-13-15-5-3-7-17(11-15)23(2)20(30)26-22(32)27-23/h3,5,7-9,11-12H,4,6,10,13H2,1-2H3,(H2,24,25,31)(H2,26,27,30,32).
What are the key properties of 1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea?
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea has a molecular weight of 435.48 g/mol, XLogP of 2.36, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea is sourced from PubChem (CID 166206329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).