[4-[4-amino-7-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone

C19H22N6O2 — CID 174473246

IUPAC[4-[4-amino-7-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCN(C)c1ccc2c(N)nc(N3CCN(C(=O)c4ccco4)CC3)nc2c1
InChIInChI=1S/C19H22N6O2/c1-23(2)13-5-6-14-15(12-13)21-19(22-17(14)20)25-9-7-24(8-10-25)18(26)16-4-3-11-27-16/h3-6,11-12H,7-10H2,1-2H3,(H2,20,21,22)
InChIKeyPTMBPXKXEMRBMZ-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.83
Rot. Bonds3

About [4-[4-amino-7-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[4-amino-7-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 174473246) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is [4-[4-amino-7-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-amino-7-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID174473246
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name[4-[4-amino-7-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCN(C)c1ccc2c(N)nc(N3CCN(C(=O)c4ccco4)CC3)nc2c1
InChIInChI=1S/C19H22N6O2/c1-23(2)13-5-6-14-15(12-13)21-19(22-17(14)20)25-9-7-24(8-10-25)18(26)16-4-3-11-27-16/h3-6,11-12H,7-10H2,1-2H3,(H2,20,21,22)
InChIKeyPTMBPXKXEMRBMZ-UHFFFAOYSA-N
XLogP1.83
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
CID 46782778
[4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(furan-2-yl)methanone
CID 171713803
[4-(1-amino-6,7-dimethoxyisoquinolin-3-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 14068977
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone;[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,2,3,3-tetradeuteriopiperazin-1-yl]-(furan-2-yl)methanone
CID 159765849
[4-[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 44523465
[4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 14156152
[4-(6-amino-5-methyl-3-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 83970287
4-amino-N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 53143954
[4-(4-amino-6,7-dimethoxyquinazolin-3-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 6200102
(E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one;hydrochloride
CID 13100443
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109262168

Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-7-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[4-amino-7-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 174473246) is [4-[4-amino-7-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[4-amino-7-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[4-amino-7-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone is CN(C)c1ccc2c(N)nc(N3CCN(C(=O)c4ccco4)CC3)nc2c1.
What is the InChIKey of [4-[4-amino-7-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is PTMBPXKXEMRBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-23(2)13-5-6-14-15(12-13)21-19(22-17(14)20)25-9-7-24(8-10-25)18(26)16-4-3-11-27-16/h3-6,11-12H,7-10H2,1-2H3,(H2,20,21,22).
What are the key properties of [4-[4-amino-7-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[4-amino-7-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 366.43 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-7-(dimethylamino)quinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 174473246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).