[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone

C25H29N3O4 — CID 139466422

IUPAC[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
SMILESCOc1cc2ncnc(C3CCN(C(=O)c4ccc(OC(C)C)cc4)CC3)c2cc1OC
InChIInChI=1S/C25H29N3O4/c1-16(2)32-19-7-5-18(6-8-19)25(29)28-11-9-17(10-12-28)24-20-13-22(30-3)23(31-4)14-21(20)26-15-27-24/h5-8,13-17H,9-12H2,1-4H3
InChIKeyHNUOKELOOIZICT-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.45
Rot. Bonds6

About [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone

[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone (PubChem CID 139466422) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
PubChem CID139466422
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
SMILESCOc1cc2ncnc(C3CCN(C(=O)c4ccc(OC(C)C)cc4)CC3)c2cc1OC
InChIInChI=1S/C25H29N3O4/c1-16(2)32-19-7-5-18(6-8-19)25(29)28-11-9-17(10-12-28)24-20-13-22(30-3)23(31-4)14-21(20)26-15-27-24/h5-8,13-17H,9-12H2,1-4H3
InChIKeyHNUOKELOOIZICT-UHFFFAOYSA-N
XLogP4.45
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.45
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-propan-2-yloxyphenyl)methanone?
The IUPAC name of [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone (CID 139466422) is [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone is COc1cc2ncnc(C3CCN(C(=O)c4ccc(OC(C)C)cc4)CC3)c2cc1OC.
What is the InChIKey of [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is HNUOKELOOIZICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-16(2)32-19-7-5-18(6-8-19)25(29)28-11-9-17(10-12-28)24-20-13-22(30-3)23(31-4)14-21(20)26-15-27-24/h5-8,13-17H,9-12H2,1-4H3.
What are the key properties of [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 435.52 g/mol, XLogP of 4.45, 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-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 139466422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).