1-[1-(7-chloro-4-oxo-3H-quinazolin-2-yl)propyl]-3-(2,3-dichlorophenyl)-1-(2-methoxyethyl)urea

C21H21Cl3N4O3 — CID 135510395

IUPAC1-[1-(7-chloro-4-oxo-3H-quinazolin-2-yl)propyl]-3-(2,3-dichlorophenyl)-1-(2-methoxyethyl)urea
SMILESCCC(c1nc2cc(Cl)ccc2c(=O)[nH]1)N(CCOC)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C21H21Cl3N4O3/c1-3-17(19-25-16-11-12(22)7-8-13(16)20(29)27-19)28(9-10-31-2)21(30)26-15-6-4-5-14(23)18(15)24/h4-8,11,17H,3,9-10H2,1-2H3,(H,26,30)(H,25,27,29)
InChIKeyONFYDFPHBSZHHF-UHFFFAOYSA-N
MW483.78 g/mol
LogP5.51
Rot. Bonds7

About 1-[1-(7-chloro-4-oxo-3H-quinazolin-2-yl)propyl]-3-(2,3-dichlorophenyl)-1-(2-methoxyethyl)urea

1-[1-(7-chloro-4-oxo-3H-quinazolin-2-yl)propyl]-3-(2,3-dichlorophenyl)-1-(2-methoxyethyl)urea (PubChem CID 135510395) has the molecular formula C21H21Cl3N4O3 and a molecular weight of 483.78 g/mol. Its IUPAC name is 1-[1-(7-chloro-4-oxo-3H-quinazolin-2-yl)propyl]-3-(2,3-dichlorophenyl)-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[1-(7-chloro-4-oxo-3H-quinazolin-2-yl)propyl]-3-(2,3-dichlorophenyl)-1-(2-methoxyethyl)urea
PubChem CID135510395
Molecular FormulaC21H21Cl3N4O3
Molecular Weight483.78 g/mol
Exact Mass482.07
IUPAC Name1-[1-(7-chloro-4-oxo-3H-quinazolin-2-yl)propyl]-3-(2,3-dichlorophenyl)-1-(2-methoxyethyl)urea
SMILESCCC(c1nc2cc(Cl)ccc2c(=O)[nH]1)N(CCOC)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C21H21Cl3N4O3/c1-3-17(19-25-16-11-12(22)7-8-13(16)20(29)27-19)28(9-10-31-2)21(30)26-15-6-4-5-14(23)18(15)24/h4-8,11,17H,3,9-10H2,1-2H3,(H,26,30)(H,25,27,29)
InChIKeyONFYDFPHBSZHHF-UHFFFAOYSA-N
XLogP5.51
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.78
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(7-chloro-4-oxo-3H-quinazolin-2-yl)propyl]-3-(2,3-dichlorophenyl)-1-(2-methoxyethyl)urea with MolForge

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Related Compounds

1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea
CID 42713023
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(3-methoxyphenyl)-1-propylurea
CID 42712970
3-(2,3-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-(3-methoxypropyl)urea
CID 42728617
1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712982
3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea
CID 42716184
3-(2-bromophenyl)-1-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea
CID 4041071
1-butyl-3-(3-chlorophenyl)-1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]urea
CID 135517988
3-(2,3-dichlorophenyl)-1-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
CID 42721067
4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82937979
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-ethyl-3-(4-methoxyphenyl)urea
CID 42712900
N-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 137108208
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea
CID 42713998

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-chloro-4-oxo-3H-quinazolin-2-yl)propyl]-3-(2,3-dichlorophenyl)-1-(2-methoxyethyl)urea?
The IUPAC name of 1-[1-(7-chloro-4-oxo-3H-quinazolin-2-yl)propyl]-3-(2,3-dichlorophenyl)-1-(2-methoxyethyl)urea (CID 135510395) is 1-[1-(7-chloro-4-oxo-3H-quinazolin-2-yl)propyl]-3-(2,3-dichlorophenyl)-1-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[1-(7-chloro-4-oxo-3H-quinazolin-2-yl)propyl]-3-(2,3-dichlorophenyl)-1-(2-methoxyethyl)urea?
The canonical SMILES for 1-[1-(7-chloro-4-oxo-3H-quinazolin-2-yl)propyl]-3-(2,3-dichlorophenyl)-1-(2-methoxyethyl)urea is CCC(c1nc2cc(Cl)ccc2c(=O)[nH]1)N(CCOC)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[1-(7-chloro-4-oxo-3H-quinazolin-2-yl)propyl]-3-(2,3-dichlorophenyl)-1-(2-methoxyethyl)urea?
The InChIKey is ONFYDFPHBSZHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl3N4O3/c1-3-17(19-25-16-11-12(22)7-8-13(16)20(29)27-19)28(9-10-31-2)21(30)26-15-6-4-5-14(23)18(15)24/h4-8,11,17H,3,9-10H2,1-2H3,(H,26,30)(H,25,27,29).
What are the key properties of 1-[1-(7-chloro-4-oxo-3H-quinazolin-2-yl)propyl]-3-(2,3-dichlorophenyl)-1-(2-methoxyethyl)urea?
1-[1-(7-chloro-4-oxo-3H-quinazolin-2-yl)propyl]-3-(2,3-dichlorophenyl)-1-(2-methoxyethyl)urea has a molecular weight of 483.78 g/mol, XLogP of 5.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-chloro-4-oxo-3H-quinazolin-2-yl)propyl]-3-(2,3-dichlorophenyl)-1-(2-methoxyethyl)urea is sourced from PubChem (CID 135510395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).