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

C24H27N3O4 — CID 139466624

IUPAC[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCC(c3ncnc4cc(OC)c(OC)cc34)CC2)cc1
InChIInChI=1S/C24H27N3O4/c1-4-31-18-7-5-17(6-8-18)24(28)27-11-9-16(10-12-27)23-19-13-21(29-2)22(30-3)14-20(19)25-15-26-23/h5-8,13-16H,4,9-12H2,1-3H3
InChIKeyXEEPXUKKEWDPRT-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.07
Rot. Bonds6

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

[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-ethoxyphenyl)methanone (PubChem CID 139466624) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-ethoxyphenyl)methanone
PubChem CID139466624
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCC(c3ncnc4cc(OC)c(OC)cc34)CC2)cc1
InChIInChI=1S/C24H27N3O4/c1-4-31-18-7-5-17(6-8-18)24(28)27-11-9-16(10-12-27)23-19-13-21(29-2)22(30-3)14-20(19)25-15-26-23/h5-8,13-16H,4,9-12H2,1-3H3
InChIKeyXEEPXUKKEWDPRT-UHFFFAOYSA-N
XLogP4.07
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.07
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-ethoxyphenyl)methanone?
The IUPAC name of [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-ethoxyphenyl)methanone (CID 139466624) is [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-ethoxyphenyl)methanone.
What is the SMILES notation for [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-ethoxyphenyl)methanone?
The canonical SMILES for [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-ethoxyphenyl)methanone is CCOc1ccc(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-ethoxyphenyl)methanone?
The InChIKey is XEEPXUKKEWDPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-4-31-18-7-5-17(6-8-18)24(28)27-11-9-16(10-12-27)23-19-13-21(29-2)22(30-3)14-20(19)25-15-26-23/h5-8,13-16H,4,9-12H2,1-3H3.
What are the key properties of [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-ethoxyphenyl)methanone?
[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-ethoxyphenyl)methanone has a molecular weight of 421.50 g/mol, XLogP of 4.07, 6 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-ethoxyphenyl)methanone is sourced from PubChem (CID 139466624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).