2,4-bis(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazoline

C20H24F4N4O2 — CID 147825530

IUPAC2,4-bis(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazoline
SMILESCOc1cc2nc(N3CCC(F)(F)CC3)nc(N3CCC(F)(F)CC3)c2cc1OC
InChIInChI=1S/C20H24F4N4O2/c1-29-15-11-13-14(12-16(15)30-2)25-18(28-9-5-20(23,24)6-10-28)26-17(13)27-7-3-19(21,22)4-8-27/h11-12H,3-10H2,1-2H3
InChIKeyHQBMZVHOALLSQK-UHFFFAOYSA-N
MW428.43 g/mol
LogP4.12
Rot. Bonds4

About 2,4-bis(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazoline

2,4-bis(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazoline (PubChem CID 147825530) has the molecular formula C20H24F4N4O2 and a molecular weight of 428.43 g/mol. Its IUPAC name is 2,4-bis(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazoline.

Molecular Properties

Compound Name2,4-bis(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazoline
PubChem CID147825530
Molecular FormulaC20H24F4N4O2
Molecular Weight428.43 g/mol
Exact Mass428.18
IUPAC Name2,4-bis(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazoline
SMILESCOc1cc2nc(N3CCC(F)(F)CC3)nc(N3CCC(F)(F)CC3)c2cc1OC
InChIInChI=1S/C20H24F4N4O2/c1-29-15-11-13-14(12-16(15)30-2)25-18(28-9-5-20(23,24)6-10-28)26-17(13)27-7-3-19(21,22)4-8-27/h11-12H,3-10H2,1-2H3
InChIKeyHQBMZVHOALLSQK-UHFFFAOYSA-N
XLogP4.12
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylquinazoline
CID 137380754
4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine
CID 139592902
N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetic acid
CID 164628599
2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxy-N-phenylquinazolin-4-amine;2,2,2-trifluoroacetic acid
CID 164625166
2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline
CID 148519917
2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine;2,2,2-trifluoroacetic acid
CID 164616588
4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707461
2-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]acetonitrile
CID 163826836
2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(propan-2-ylsulfanylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 163791606
2-(4,4-difluoroazepan-1-yl)-6,7-dimethoxyquinoline-3-carboxylic acid
CID 169264563
N-[(2,2-difluoro-1-methylcyclopropyl)methyl]-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 166013265
4-(4,6,7-trimethoxyquinazolin-2-yl)morpholine
CID 22082862

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazoline?
The IUPAC name of 2,4-bis(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazoline (CID 147825530) is 2,4-bis(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazoline.
What is the SMILES notation for 2,4-bis(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazoline?
The canonical SMILES for 2,4-bis(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazoline is COc1cc2nc(N3CCC(F)(F)CC3)nc(N3CCC(F)(F)CC3)c2cc1OC.
What is the InChIKey of 2,4-bis(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazoline?
The InChIKey is HQBMZVHOALLSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F4N4O2/c1-29-15-11-13-14(12-16(15)30-2)25-18(28-9-5-20(23,24)6-10-28)26-17(13)27-7-3-19(21,22)4-8-27/h11-12H,3-10H2,1-2H3.
What are the key properties of 2,4-bis(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazoline?
2,4-bis(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazoline has a molecular weight of 428.43 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazoline is sourced from PubChem (CID 147825530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).