1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea

C19H17F3N4O4 — CID 162429621

IUPAC1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCOCCn1cnc2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2c1=O
InChIInChI=1S/C19H17F3N4O4/c1-29-9-8-26-11-23-16-7-4-13(10-15(16)17(26)27)25-18(28)24-12-2-5-14(6-3-12)30-19(20,21)22/h2-7,10-11H,8-9H2,1H3,(H2,24,25,28)
InChIKeyNBPAENOFXSTNMO-UHFFFAOYSA-N
MW422.36 g/mol
LogP3.59
Rot. Bonds6

About 1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea

1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 162429621) has the molecular formula C19H17F3N4O4 and a molecular weight of 422.36 g/mol. Its IUPAC name is 1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID162429621
Molecular FormulaC19H17F3N4O4
Molecular Weight422.36 g/mol
Exact Mass422.12
IUPAC Name1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCOCCn1cnc2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2c1=O
InChIInChI=1S/C19H17F3N4O4/c1-29-9-8-26-11-23-16-7-4-13(10-15(16)17(26)27)25-18(28)24-12-2-5-14(6-3-12)30-19(20,21)22/h2-7,10-11H,8-9H2,1H3,(H2,24,25,28)
InChIKeyNBPAENOFXSTNMO-UHFFFAOYSA-N
XLogP3.59
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea
CID 162429400
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-(3-methoxyphenyl)urea
CID 162429378
1-(3-chloro-4-fluorophenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]urea
CID 162429270
6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one
CID 162429544
1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea
CID 162429447
1-(4-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea
CID 162429338
6-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide
CID 4899813
N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 71826913
N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide
CID 91639946
[4-oxo-3-[3-[2-(trifluoromethyl)phenoxy]propyl]quinazolin-6-yl]carbamic acid
CID 67376888
2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide
CID 25158966
3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one
CID 39817833

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 162429621) is 1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea is COCCn1cnc2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2c1=O.
What is the InChIKey of 1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is NBPAENOFXSTNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O4/c1-29-9-8-26-11-23-16-7-4-13(10-15(16)17(26)27)25-18(28)24-12-2-5-14(6-3-12)30-19(20,21)22/h2-7,10-11H,8-9H2,1H3,(H2,24,25,28).
What are the key properties of 1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 422.36 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 162429621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).