N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetic acid

C20H23F5N4O4 — CID 164628599

IUPACN-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetic acid
SMILESCOc1cc2nc(N3CCC(F)(F)CC3)nc(NC3CC3)c2cc1OC.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22F2N4O2.C2HF3O2/c1-25-14-9-12-13(10-15(14)26-2)22-17(23-16(12)21-11-3-4-11)24-7-5-18(19,20)6-8-24;3-2(4,5)1(6)7/h9-11H,3-8H2,1-2H3,(H,21,22,23);(H,6,7)
InChIKeyHOXHZAIRLYMPFX-UHFFFAOYSA-N
MW478.42 g/mol
LogP4.09
Rot. Bonds5

About N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetic acid

N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 164628599) has the molecular formula C20H23F5N4O4 and a molecular weight of 478.42 g/mol. Its IUPAC name is N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID164628599
Molecular FormulaC20H23F5N4O4
Molecular Weight478.42 g/mol
Exact Mass478.16
IUPAC NameN-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetic acid
SMILESCOc1cc2nc(N3CCC(F)(F)CC3)nc(NC3CC3)c2cc1OC.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22F2N4O2.C2HF3O2/c1-25-14-9-12-13(10-15(14)26-2)22-17(23-16(12)21-11-3-4-11)24-7-5-18(19,20)6-8-24;3-2(4,5)1(6)7/h9-11H,3-8H2,1-2H3,(H,21,22,23);(H,6,7)
InChIKeyHOXHZAIRLYMPFX-UHFFFAOYSA-N
XLogP4.09
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.42
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine;2,2,2-trifluoroacetic acid
CID 164616588
2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxy-N-phenylquinazolin-4-amine;2,2,2-trifluoroacetic acid
CID 164625166
1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone
CID 71738547
N-cyclopropyl-2-(4-ethylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 139592905
2,4-bis(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazoline
CID 147825530
N-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(oxetan-3-yl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-yl]cyclopropanecarboxamide;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(trifluoromethyl)quinazolin-4-amine
CID 163489404
N-tert-butyl-1-[6,7-dimethoxy-4-[1-(oxolan-2-yl)ethylamino]quinazolin-2-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 167979817
2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)-N-(thian-4-yl)quinazolin-4-amine
CID 169082820
ethyl 4-[[6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-yl]amino]piperidine-1-carboxylate
CID 44561028
2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(4-pyrrolidin-1-ylbut-1-ynyl)quinazolin-4-amine
CID 162761727
tert-butyl (3R)-3-[(6-methoxy-7-prop-2-ynoxy-2-pyrrolidin-1-ylquinazolin-4-yl)amino]piperidine-1-carboxylate
CID 137390224
6,7-dimethoxy-2-(4-methylpiperazin-1-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine;2,2,2-trifluoroacetic acid
CID 118607331

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetic acid (CID 164628599) is N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetic acid is COc1cc2nc(N3CCC(F)(F)CC3)nc(NC3CC3)c2cc1OC.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is HOXHZAIRLYMPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O2.C2HF3O2/c1-25-14-9-12-13(10-15(14)26-2)22-17(23-16(12)21-11-3-4-11)24-7-5-18(19,20)6-8-24;3-2(4,5)1(6)7/h9-11H,3-8H2,1-2H3,(H,21,22,23);(H,6,7).
What are the key properties of N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetic acid?
N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 478.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 164628599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).