3-(3-chloro-2-methoxyphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea

C19H19ClN4O3 — CID 136873354

IUPAC3-(3-chloro-2-methoxyphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cccc(Cl)c1OC
InChIInChI=1S/C19H19ClN4O3/c1-3-24(19(26)22-15-10-6-8-13(20)17(15)27-2)11-16-21-14-9-5-4-7-12(14)18(25)23-16/h4-10H,3,11H2,1-2H3,(H,22,26)(H,21,23,25)
InChIKeyNGIZHKYYPPVEQV-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.64
Rot. Bonds5

About 3-(3-chloro-2-methoxyphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea

3-(3-chloro-2-methoxyphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea (PubChem CID 136873354) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 3-(3-chloro-2-methoxyphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea.

Molecular Properties

Compound Name3-(3-chloro-2-methoxyphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
PubChem CID136873354
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name3-(3-chloro-2-methoxyphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cccc(Cl)c1OC
InChIInChI=1S/C19H19ClN4O3/c1-3-24(19(26)22-15-10-6-8-13(20)17(15)27-2)11-16-21-14-9-5-4-7-12(14)18(25)23-16/h4-10H,3,11H2,1-2H3,(H,22,26)(H,21,23,25)
InChIKeyNGIZHKYYPPVEQV-UHFFFAOYSA-N
XLogP3.64
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-chloro-2-methoxyphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea with MolForge

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Related Compounds

1-ethyl-3-[2-(3-methylphenoxy)phenyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 136929508
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 136929486
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669
3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 136948205
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-propan-2-ylphenyl)urea
CID 136929510
3-(2-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-(thiophen-2-ylmethyl)urea
CID 135429181
1-ethyl-3-(2-methyl-2-phenylpropyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 136948180
3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 137017001
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
3-(2-chlorophenyl)-1-cyclohexyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135417697
2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135820980
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135429180

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methoxyphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The IUPAC name of 3-(3-chloro-2-methoxyphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea (CID 136873354) is 3-(3-chloro-2-methoxyphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea.
What is the SMILES notation for 3-(3-chloro-2-methoxyphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The canonical SMILES for 3-(3-chloro-2-methoxyphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cccc(Cl)c1OC.
What is the InChIKey of 3-(3-chloro-2-methoxyphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The InChIKey is NGIZHKYYPPVEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-3-24(19(26)22-15-10-6-8-13(20)17(15)27-2)11-16-21-14-9-5-4-7-12(14)18(25)23-16/h4-10H,3,11H2,1-2H3,(H,22,26)(H,21,23,25).
What are the key properties of 3-(3-chloro-2-methoxyphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
3-(3-chloro-2-methoxyphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea has a molecular weight of 386.84 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methoxyphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea is sourced from PubChem (CID 136873354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).