3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid

C19H24F3N5O5 — CID 166207162

IUPAC3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid
SMILESCOc1cc2nc(NC3CCN(C(C)C)C3=O)nc(N)c2cc1OC.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N5O3.C2HF3O2/c1-9(2)22-6-5-11(16(22)23)19-17-20-12-8-14(25-4)13(24-3)7-10(12)15(18)21-17;3-2(4,5)1(6)7/h7-9,11H,5-6H2,1-4H3,(H3,18,19,20,21);(H,6,7)
InChIKeyYLTTXEIGWNJYMG-UHFFFAOYSA-N
MW459.43 g/mol
LogP2.28
Rot. Bonds5

About 3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid

3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 166207162) has the molecular formula C19H24F3N5O5 and a molecular weight of 459.43 g/mol. Its IUPAC name is 3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid
PubChem CID166207162
Molecular FormulaC19H24F3N5O5
Molecular Weight459.43 g/mol
Exact Mass459.17
IUPAC Name3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid
SMILESCOc1cc2nc(NC3CCN(C(C)C)C3=O)nc(N)c2cc1OC.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N5O3.C2HF3O2/c1-9(2)22-6-5-11(16(22)23)19-17-20-12-8-14(25-4)13(24-3)7-10(12)15(18)21-17;3-2(4,5)1(6)7/h7-9,11H,5-6H2,1-4H3,(H3,18,19,20,21);(H,6,7)
InChIKeyYLTTXEIGWNJYMG-UHFFFAOYSA-N
XLogP2.28
TPSA139.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.43
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone
CID 56557141
2-N-(dicyclopropylmethyl)-6,7-dimethoxyquinazoline-2,4-diamine
CID 133333792
4-acetyl-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 44532219
2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid
CID 67137425
6,7-dimethoxy-2-(4-methylpiperazin-1-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine;2,2,2-trifluoroacetic acid
CID 118607331
N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;2,2,2-trifluoroacetic acid
CID 164628599
6,7-dimethoxy-2-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinazoline-2,4-diamine
CID 131963482
6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine
CID 166201680
2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 44532808
2-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345934
2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine;2,2,2-trifluoroacetic acid
CID 164616588
6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine
CID 133299996

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid (CID 166207162) is 3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid is COc1cc2nc(NC3CCN(C(C)C)C3=O)nc(N)c2cc1OC.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is YLTTXEIGWNJYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3.C2HF3O2/c1-9(2)22-6-5-11(16(22)23)19-17-20-12-8-14(25-4)13(24-3)7-10(12)15(18)21-17;3-2(4,5)1(6)7/h7-9,11H,5-6H2,1-4H3,(H3,18,19,20,21);(H,6,7).
What are the key properties of 3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid?
3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 459.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166207162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).