1-[2-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea

C20H22Cl2N4O2 — CID 68524336

IUPAC1-[2-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea
SMILESCC(=O)N1CCCc2ccc(CCNC(=O)NCc3ccc(Cl)c(Cl)c3)nc21
InChIInChI=1S/C20H22Cl2N4O2/c1-13(27)26-10-2-3-15-5-6-16(25-19(15)26)8-9-23-20(28)24-12-14-4-7-17(21)18(22)11-14/h4-7,11H,2-3,8-10,12H2,1H3,(H2,23,24,28)
InChIKeyODHNQFAYNNTHLM-UHFFFAOYSA-N
MW421.33 g/mol
LogP3.73
Rot. Bonds5

About 1-[2-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea

1-[2-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea (PubChem CID 68524336) has the molecular formula C20H22Cl2N4O2 and a molecular weight of 421.33 g/mol. Its IUPAC name is 1-[2-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea
PubChem CID68524336
Molecular FormulaC20H22Cl2N4O2
Molecular Weight421.33 g/mol
Exact Mass420.11
IUPAC Name1-[2-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea
SMILESCC(=O)N1CCCc2ccc(CCNC(=O)NCc3ccc(Cl)c(Cl)c3)nc21
InChIInChI=1S/C20H22Cl2N4O2/c1-13(27)26-10-2-3-15-5-6-16(25-19(15)26)8-9-23-20(28)24-12-14-4-7-17(21)18(22)11-14/h4-7,11H,2-3,8-10,12H2,1H3,(H2,23,24,28)
InChIKeyODHNQFAYNNTHLM-UHFFFAOYSA-N
XLogP3.73
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea with MolForge

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-3-[2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)ethyl]urea
CID 71590501
[6-[2-[(3,4-dichlorophenyl)methylcarbamoylamino]ethyl]-2-pyridinyl]-methylideneazanium
CID 90728318
1-[(3,4-dichlorophenyl)methyl]-3-[2-[6-(1H-pyrrol-3-yl)-2-pyridinyl]ethyl]urea
CID 91021481
1-(3-fluorophenyl)-3-[2-(8-methyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]urea
CID 91244941
4-acetyl-N-[(3,4-dichlorophenyl)methyl]-1,4-diazepane-1-carbothioamide
CID 3866070
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea
CID 110774865
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea
CID 59018321
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 78882437
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 78879228
2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 3460813
4-(8-bromo-6,7-dihydro-5H-1,8-naphthyridin-2-yl)butan-2-one
CID 91174910
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 71590344

Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea?
The IUPAC name of 1-[2-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea (CID 68524336) is 1-[2-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea.
What is the SMILES notation for 1-[2-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea?
The canonical SMILES for 1-[2-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea is CC(=O)N1CCCc2ccc(CCNC(=O)NCc3ccc(Cl)c(Cl)c3)nc21.
What is the InChIKey of 1-[2-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea?
The InChIKey is ODHNQFAYNNTHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O2/c1-13(27)26-10-2-3-15-5-6-16(25-19(15)26)8-9-23-20(28)24-12-14-4-7-17(21)18(22)11-14/h4-7,11H,2-3,8-10,12H2,1H3,(H2,23,24,28).
What are the key properties of 1-[2-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea?
1-[2-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea has a molecular weight of 421.33 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea is sourced from PubChem (CID 68524336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).