3-[4-(7-propan-2-yloxyquinazolin-4-yl)oxycyclohexyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione

C26H26F3N5O4 — CID 165167152

IUPAC3-[4-(7-propan-2-yloxyquinazolin-4-yl)oxycyclohexyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
SMILESCC(C)Oc1ccc2c(OC3CCC(N4C(=O)CN(c5cncc(C(F)(F)F)c5)C4=O)CC3)ncnc2c1
InChIInChI=1S/C26H26F3N5O4/c1-15(2)37-20-7-8-21-22(10-20)31-14-32-24(21)38-19-5-3-17(4-6-19)34-23(35)13-33(25(34)36)18-9-16(11-30-12-18)26(27,28)29/h7-12,14-15,17,19H,3-6,13H2,1-2H3
InChIKeyHWARZYQVCZNZBT-UHFFFAOYSA-N
MW529.52 g/mol
LogP4.99
Rot. Bonds6

About 3-[4-(7-propan-2-yloxyquinazolin-4-yl)oxycyclohexyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione

3-[4-(7-propan-2-yloxyquinazolin-4-yl)oxycyclohexyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione (PubChem CID 165167152) has the molecular formula C26H26F3N5O4 and a molecular weight of 529.52 g/mol. Its IUPAC name is 3-[4-(7-propan-2-yloxyquinazolin-4-yl)oxycyclohexyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(7-propan-2-yloxyquinazolin-4-yl)oxycyclohexyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
PubChem CID165167152
Molecular FormulaC26H26F3N5O4
Molecular Weight529.52 g/mol
Exact Mass529.19
IUPAC Name3-[4-(7-propan-2-yloxyquinazolin-4-yl)oxycyclohexyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
SMILESCC(C)Oc1ccc2c(OC3CCC(N4C(=O)CN(c5cncc(C(F)(F)F)c5)C4=O)CC3)ncnc2c1
InChIInChI=1S/C26H26F3N5O4/c1-15(2)37-20-7-8-21-22(10-20)31-14-32-24(21)38-19-5-3-17(4-6-19)34-23(35)13-33(25(34)36)18-9-16(11-30-12-18)26(27,28)29/h7-12,14-15,17,19H,3-6,13H2,1-2H3
InChIKeyHWARZYQVCZNZBT-UHFFFAOYSA-N
XLogP4.99
TPSA97.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.52
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(7-propan-2-yloxyquinazolin-4-yl)oxycyclohexyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[4-(7-propan-2-yloxyquinazolin-4-yl)oxycyclohexyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione (CID 165167152) is 3-[4-(7-propan-2-yloxyquinazolin-4-yl)oxycyclohexyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(7-propan-2-yloxyquinazolin-4-yl)oxycyclohexyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[4-(7-propan-2-yloxyquinazolin-4-yl)oxycyclohexyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione is CC(C)Oc1ccc2c(OC3CCC(N4C(=O)CN(c5cncc(C(F)(F)F)c5)C4=O)CC3)ncnc2c1.
What is the InChIKey of 3-[4-(7-propan-2-yloxyquinazolin-4-yl)oxycyclohexyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
The InChIKey is HWARZYQVCZNZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O4/c1-15(2)37-20-7-8-21-22(10-20)31-14-32-24(21)38-19-5-3-17(4-6-19)34-23(35)13-33(25(34)36)18-9-16(11-30-12-18)26(27,28)29/h7-12,14-15,17,19H,3-6,13H2,1-2H3.
What are the key properties of 3-[4-(7-propan-2-yloxyquinazolin-4-yl)oxycyclohexyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
3-[4-(7-propan-2-yloxyquinazolin-4-yl)oxycyclohexyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 529.52 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(7-propan-2-yloxyquinazolin-4-yl)oxycyclohexyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 165167152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).