1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2,2-diphenylethanone

C28H29N5O3 — CID 10767175

IUPAC1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2,2-diphenylethanone
SMILESCOc1cc2nc(N3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C28H29N5O3/c1-35-23-17-21-22(18-24(23)36-2)30-28(31-26(21)29)33-15-13-32(14-16-33)27(34)25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,25H,13-16H2,1-2H3,(H2,29,30,31)
InChIKeyDGUCMTZXMJORQA-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.71
Rot. Bonds6

About 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2,2-diphenylethanone

1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2,2-diphenylethanone (PubChem CID 10767175) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2,2-diphenylethanone
PubChem CID10767175
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2,2-diphenylethanone
SMILESCOc1cc2nc(N3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C28H29N5O3/c1-35-23-17-21-22(18-24(23)36-2)30-28(31-26(21)29)33-15-13-32(14-16-33)27(34)25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,25H,13-16H2,1-2H3,(H2,29,30,31)
InChIKeyDGUCMTZXMJORQA-UHFFFAOYSA-N
XLogP3.71
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Lotamilast
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2,2-diphenylethanone (CID 10767175) is 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2,2-diphenylethanone is COc1cc2nc(N3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)nc(N)c2cc1OC.
What is the InChIKey of 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2,2-diphenylethanone?
The InChIKey is DGUCMTZXMJORQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-35-23-17-21-22(18-24(23)36-2)30-28(31-26(21)29)33-15-13-32(14-16-33)27(34)25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,25H,13-16H2,1-2H3,(H2,29,30,31).
What are the key properties of 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2,2-diphenylethanone?
1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2,2-diphenylethanone has a molecular weight of 483.57 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 10767175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).