[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone

C23H25N3O4 — CID 139466607

IUPAC[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(c3ncnc4cc(OC)c(OC)cc34)CC2)cc1
InChIInChI=1S/C23H25N3O4/c1-28-17-6-4-16(5-7-17)23(27)26-10-8-15(9-11-26)22-18-12-20(29-2)21(30-3)13-19(18)24-14-25-22/h4-7,12-15H,8-11H2,1-3H3
InChIKeyQUDKNRIQFXQZKP-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.68
Rot. Bonds5

About [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone

[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 139466607) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID139466607
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(c3ncnc4cc(OC)c(OC)cc34)CC2)cc1
InChIInChI=1S/C23H25N3O4/c1-28-17-6-4-16(5-7-17)23(27)26-10-8-15(9-11-26)22-18-12-20(29-2)21(30-3)13-19(18)24-14-25-22/h4-7,12-15H,8-11H2,1-3H3
InChIKeyQUDKNRIQFXQZKP-UHFFFAOYSA-N
XLogP3.68
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone (CID 139466607) is [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(c3ncnc4cc(OC)c(OC)cc34)CC2)cc1.
What is the InChIKey of [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is QUDKNRIQFXQZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-28-17-6-4-16(5-7-17)23(27)26-10-8-15(9-11-26)22-18-12-20(29-2)21(30-3)13-19(18)24-14-25-22/h4-7,12-15H,8-11H2,1-3H3.
What are the key properties of [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone?
[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 407.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 139466607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).