(4-propan-2-ylphenyl) 4-(7-methoxyquinazolin-4-yl)piperidine-1-carboxylate

C24H27N3O3 — CID 90731692

IUPAC(4-propan-2-ylphenyl) 4-(7-methoxyquinazolin-4-yl)piperidine-1-carboxylate
SMILESCOc1ccc2c(C3CCN(C(=O)Oc4ccc(C(C)C)cc4)CC3)ncnc2c1
InChIInChI=1S/C24H27N3O3/c1-16(2)17-4-6-19(7-5-17)30-24(28)27-12-10-18(11-13-27)23-21-9-8-20(29-3)14-22(21)25-15-26-23/h4-9,14-16,18H,10-13H2,1-3H3
InChIKeyDEKZENLEIOMOQA-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.14
Rot. Bonds4

About (4-propan-2-ylphenyl) 4-(7-methoxyquinazolin-4-yl)piperidine-1-carboxylate

(4-propan-2-ylphenyl) 4-(7-methoxyquinazolin-4-yl)piperidine-1-carboxylate (PubChem CID 90731692) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (4-propan-2-ylphenyl) 4-(7-methoxyquinazolin-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl) 4-(7-methoxyquinazolin-4-yl)piperidine-1-carboxylate
PubChem CID90731692
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name(4-propan-2-ylphenyl) 4-(7-methoxyquinazolin-4-yl)piperidine-1-carboxylate
SMILESCOc1ccc2c(C3CCN(C(=O)Oc4ccc(C(C)C)cc4)CC3)ncnc2c1
InChIInChI=1S/C24H27N3O3/c1-16(2)17-4-6-19(7-5-17)30-24(28)27-12-10-18(11-13-27)23-21-9-8-20(29-3)14-22(21)25-15-26-23/h4-9,14-16,18H,10-13H2,1-3H3
InChIKeyDEKZENLEIOMOQA-UHFFFAOYSA-N
XLogP5.14
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl) 4-(7-methoxyquinazolin-4-yl)piperidine-1-carboxylate?
The IUPAC name of (4-propan-2-ylphenyl) 4-(7-methoxyquinazolin-4-yl)piperidine-1-carboxylate (CID 90731692) is (4-propan-2-ylphenyl) 4-(7-methoxyquinazolin-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for (4-propan-2-ylphenyl) 4-(7-methoxyquinazolin-4-yl)piperidine-1-carboxylate?
The canonical SMILES for (4-propan-2-ylphenyl) 4-(7-methoxyquinazolin-4-yl)piperidine-1-carboxylate is COc1ccc2c(C3CCN(C(=O)Oc4ccc(C(C)C)cc4)CC3)ncnc2c1.
What is the InChIKey of (4-propan-2-ylphenyl) 4-(7-methoxyquinazolin-4-yl)piperidine-1-carboxylate?
The InChIKey is DEKZENLEIOMOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16(2)17-4-6-19(7-5-17)30-24(28)27-12-10-18(11-13-27)23-21-9-8-20(29-3)14-22(21)25-15-26-23/h4-9,14-16,18H,10-13H2,1-3H3.
What are the key properties of (4-propan-2-ylphenyl) 4-(7-methoxyquinazolin-4-yl)piperidine-1-carboxylate?
(4-propan-2-ylphenyl) 4-(7-methoxyquinazolin-4-yl)piperidine-1-carboxylate has a molecular weight of 405.50 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl) 4-(7-methoxyquinazolin-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 90731692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).