1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea

C22H25ClN4O3 — CID 42713023

IUPAC1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea
SMILESCCn1c(C(C)N(CCOC)C(=O)Nc2ccccc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C22H25ClN4O3/c1-4-26-20(25-19-14-16(23)10-11-18(19)21(26)28)15(2)27(12-13-30-3)22(29)24-17-8-6-5-7-9-17/h5-11,14-15H,4,12-13H2,1-3H3,(H,24,29)
InChIKeyOMTLPNUMKCJEEN-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.31
Rot. Bonds7

About 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea

1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea (PubChem CID 42713023) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea.

Molecular Properties

Compound Name1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea
PubChem CID42713023
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea
SMILESCCn1c(C(C)N(CCOC)C(=O)Nc2ccccc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C22H25ClN4O3/c1-4-26-20(25-19-14-16(23)10-11-18(19)21(26)28)15(2)27(12-13-30-3)22(29)24-17-8-6-5-7-9-17/h5-11,14-15H,4,12-13H2,1-3H3,(H,24,29)
InChIKeyOMTLPNUMKCJEEN-UHFFFAOYSA-N
XLogP4.31
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea with MolForge

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Related Compounds

1-butyl-3-(3-chlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42713184
3,4-dichloro-N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)benzamide
CID 42712390
3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea
CID 42715557
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea
CID 42713998
3-(4-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea
CID 4037309
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(furan-2-ylmethyl)urea
CID 42711213
3-(2-bromophenyl)-1-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea
CID 4041071
1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(3-fluorophenyl)-1-(2-methoxyethyl)urea
CID 42715522
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-ethyl-3-(4-methoxyphenyl)urea
CID 42712900
3-(3-bromophenyl)-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-methylurea
CID 42713826
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(3-methoxyphenyl)-1-propylurea
CID 42712970
1-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(4-ethylphenyl)urea
CID 42713065

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea?
The IUPAC name of 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea (CID 42713023) is 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea.
What is the SMILES notation for 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea?
The canonical SMILES for 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea is CCn1c(C(C)N(CCOC)C(=O)Nc2ccccc2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea?
The InChIKey is OMTLPNUMKCJEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-4-26-20(25-19-14-16(23)10-11-18(19)21(26)28)15(2)27(12-13-30-3)22(29)24-17-8-6-5-7-9-17/h5-11,14-15H,4,12-13H2,1-3H3,(H,24,29).
What are the key properties of 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea?
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea has a molecular weight of 428.92 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea is sourced from PubChem (CID 42713023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).