3,5-dichloro-N-[8-fluoro-2-methyl-4-oxo-3-[[3-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-5-yl]-4-hydroxybenzamide

C23H14Cl2F4N4O3 — CID 167072069

IUPAC3,5-dichloro-N-[8-fluoro-2-methyl-4-oxo-3-[[3-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-5-yl]-4-hydroxybenzamide
SMILESCc1nc2c(F)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c(=O)n1Cc1ncccc1C(F)(F)F
InChIInChI=1S/C23H14Cl2F4N4O3/c1-10-31-19-15(26)4-5-16(32-21(35)11-7-13(24)20(34)14(25)8-11)18(19)22(36)33(10)9-17-12(23(27,28)29)3-2-6-30-17/h2-8,34H,9H2,1H3,(H,32,35)
InChIKeyUMXINSUIXWPPTL-UHFFFAOYSA-N
MW541.29 g/mol
LogP5.57
Rot. Bonds4

About 3,5-dichloro-N-[8-fluoro-2-methyl-4-oxo-3-[[3-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-5-yl]-4-hydroxybenzamide

3,5-dichloro-N-[8-fluoro-2-methyl-4-oxo-3-[[3-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-5-yl]-4-hydroxybenzamide (PubChem CID 167072069) has the molecular formula C23H14Cl2F4N4O3 and a molecular weight of 541.29 g/mol. Its IUPAC name is 3,5-dichloro-N-[8-fluoro-2-methyl-4-oxo-3-[[3-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-5-yl]-4-hydroxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[8-fluoro-2-methyl-4-oxo-3-[[3-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-5-yl]-4-hydroxybenzamide
PubChem CID167072069
Molecular FormulaC23H14Cl2F4N4O3
Molecular Weight541.29 g/mol
Exact Mass540.04
IUPAC Name3,5-dichloro-N-[8-fluoro-2-methyl-4-oxo-3-[[3-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-5-yl]-4-hydroxybenzamide
SMILESCc1nc2c(F)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c(=O)n1Cc1ncccc1C(F)(F)F
InChIInChI=1S/C23H14Cl2F4N4O3/c1-10-31-19-15(26)4-5-16(32-21(35)11-7-13(24)20(34)14(25)8-11)18(19)22(36)33(10)9-17-12(23(27,28)29)3-2-6-30-17/h2-8,34H,9H2,1H3,(H,32,35)
InChIKeyUMXINSUIXWPPTL-UHFFFAOYSA-N
XLogP5.57
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.29
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,5-dichloro-N-[8-fluoro-2-methyl-4-oxo-3-[[3-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-5-yl]-4-hydroxybenzamide with MolForge

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Related Compounds

US20230278981, Example 52
CID 163301018
US20230278981, Example 122
CID 163301020
Hsd17B13-IN-34
CID 163301026
US20230278981, Example 77
CID 163301027
US20230278981, Example 172
CID 163301028
US20230278981, Example 92
CID 163301033
US20230278981, Example 140
CID 163301034
US20230278981, Example 56
CID 163301043
US20230278981, Example 137
CID 163301044
US20230278981, Example 177
CID 163301046
US20230278981, Example 166
CID 163301047
Hsd17B13-IN-58
CID 163301060

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[8-fluoro-2-methyl-4-oxo-3-[[3-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-5-yl]-4-hydroxybenzamide?
The IUPAC name of 3,5-dichloro-N-[8-fluoro-2-methyl-4-oxo-3-[[3-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-5-yl]-4-hydroxybenzamide (CID 167072069) is 3,5-dichloro-N-[8-fluoro-2-methyl-4-oxo-3-[[3-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-5-yl]-4-hydroxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[8-fluoro-2-methyl-4-oxo-3-[[3-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-5-yl]-4-hydroxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[8-fluoro-2-methyl-4-oxo-3-[[3-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-5-yl]-4-hydroxybenzamide is Cc1nc2c(F)ccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)c2c(=O)n1Cc1ncccc1C(F)(F)F.
What is the InChIKey of 3,5-dichloro-N-[8-fluoro-2-methyl-4-oxo-3-[[3-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-5-yl]-4-hydroxybenzamide?
The InChIKey is UMXINSUIXWPPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2F4N4O3/c1-10-31-19-15(26)4-5-16(32-21(35)11-7-13(24)20(34)14(25)8-11)18(19)22(36)33(10)9-17-12(23(27,28)29)3-2-6-30-17/h2-8,34H,9H2,1H3,(H,32,35).
What are the key properties of 3,5-dichloro-N-[8-fluoro-2-methyl-4-oxo-3-[[3-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-5-yl]-4-hydroxybenzamide?
3,5-dichloro-N-[8-fluoro-2-methyl-4-oxo-3-[[3-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-5-yl]-4-hydroxybenzamide has a molecular weight of 541.29 g/mol, XLogP of 5.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[8-fluoro-2-methyl-4-oxo-3-[[3-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-5-yl]-4-hydroxybenzamide is sourced from PubChem (CID 167072069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).