1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-ethyl-3-(4-methoxyphenyl)urea

C23H27ClN4O3 — CID 42712900

IUPAC1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-ethyl-3-(4-methoxyphenyl)urea
SMILESCCC(c1nc2cc(Cl)ccc2c(=O)n1CC)N(CC)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C23H27ClN4O3/c1-5-20(27(6-2)23(30)25-16-9-11-17(31-4)12-10-16)21-26-19-14-15(24)8-13-18(19)22(29)28(21)7-3/h8-14,20H,5-7H2,1-4H3,(H,25,30)
InChIKeyNUZOATMSACLUTB-UHFFFAOYSA-N
MW442.95 g/mol
LogP5.08
Rot. Bonds7

About 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-ethyl-3-(4-methoxyphenyl)urea

1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-ethyl-3-(4-methoxyphenyl)urea (PubChem CID 42712900) has the molecular formula C23H27ClN4O3 and a molecular weight of 442.95 g/mol. Its IUPAC name is 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-ethyl-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-ethyl-3-(4-methoxyphenyl)urea
PubChem CID42712900
Molecular FormulaC23H27ClN4O3
Molecular Weight442.95 g/mol
Exact Mass442.18
IUPAC Name1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-ethyl-3-(4-methoxyphenyl)urea
SMILESCCC(c1nc2cc(Cl)ccc2c(=O)n1CC)N(CC)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C23H27ClN4O3/c1-5-20(27(6-2)23(30)25-16-9-11-17(31-4)12-10-16)21-26-19-14-15(24)8-13-18(19)22(29)28(21)7-3/h8-14,20H,5-7H2,1-4H3,(H,25,30)
InChIKeyNUZOATMSACLUTB-UHFFFAOYSA-N
XLogP5.08
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.95
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-ethyl-3-(4-methoxyphenyl)urea with MolForge

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Related Compounds

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
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-ethylheptanamide
CID 42712528
3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42714465
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea
CID 42713023
3-(4-chlorophenyl)-1-ethyl-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42722815
1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(2,4-dimethoxyphenyl)-1-ethylurea
CID 42713036
1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)urea
CID 42712646
3-(3-bromophenyl)-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-methylurea
CID 42713826
3-(4-bromophenyl)-1-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea
CID 42720263
3-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-(furan-2-ylmethyl)urea
CID 4667171
3-(4-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)urea
CID 4690566

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-ethyl-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-ethyl-3-(4-methoxyphenyl)urea (CID 42712900) is 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-ethyl-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-ethyl-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-ethyl-3-(4-methoxyphenyl)urea is CCC(c1nc2cc(Cl)ccc2c(=O)n1CC)N(CC)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-ethyl-3-(4-methoxyphenyl)urea?
The InChIKey is NUZOATMSACLUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3/c1-5-20(27(6-2)23(30)25-16-9-11-17(31-4)12-10-16)21-26-19-14-15(24)8-13-18(19)22(29)28(21)7-3/h8-14,20H,5-7H2,1-4H3,(H,25,30).
What are the key properties of 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-ethyl-3-(4-methoxyphenyl)urea?
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-ethyl-3-(4-methoxyphenyl)urea has a molecular weight of 442.95 g/mol, XLogP of 5.08, 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)propyl]-1-ethyl-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 42712900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).