3-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

C25H23N7O3 — CID 37399519

IUPAC3-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESNc1nc(CN2CCN(C(=O)Cn3cnc4c(oc5ccccc54)c3=O)CC2)nc2ccccc12
InChIInChI=1S/C25H23N7O3/c26-24-16-5-1-3-7-18(16)28-20(29-24)13-30-9-11-31(12-10-30)21(33)14-32-15-27-22-17-6-2-4-8-19(17)35-23(22)25(32)34/h1-8,15H,9-14H2,(H2,26,28,29)
InChIKeyZUMAOLOVJFSWRD-UHFFFAOYSA-N
MW469.51 g/mol
LogP2.01
Rot. Bonds4

About 3-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

3-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 37399519) has the molecular formula C25H23N7O3 and a molecular weight of 469.51 g/mol. Its IUPAC name is 3-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID37399519
Molecular FormulaC25H23N7O3
Molecular Weight469.51 g/mol
Exact Mass469.19
IUPAC Name3-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESNc1nc(CN2CCN(C(=O)Cn3cnc4c(oc5ccccc54)c3=O)CC2)nc2ccccc12
InChIInChI=1S/C25H23N7O3/c26-24-16-5-1-3-7-18(16)28-20(29-24)13-30-9-11-31(12-10-30)21(33)14-32-15-27-22-17-6-2-4-8-19(17)35-23(22)25(32)34/h1-8,15H,9-14H2,(H2,26,28,29)
InChIKeyZUMAOLOVJFSWRD-UHFFFAOYSA-N
XLogP2.01
TPSA123.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one;hydrochloride
CID 119375446
3-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 56535703
3-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 119545425
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 37132816
[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl] 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate
CID 55386308
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one;hydrochloride
CID 119380116
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid
CID 167806447
3-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 119541004
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 37129641
2-[[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 30648593
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26736638
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 34953369

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 37399519) is 3-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is Nc1nc(CN2CCN(C(=O)Cn3cnc4c(oc5ccccc54)c3=O)CC2)nc2ccccc12.
What is the InChIKey of 3-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is ZUMAOLOVJFSWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O3/c26-24-16-5-1-3-7-18(16)28-20(29-24)13-30-9-11-31(12-10-30)21(33)14-32-15-27-22-17-6-2-4-8-19(17)35-23(22)25(32)34/h1-8,15H,9-14H2,(H2,26,28,29).
What are the key properties of 3-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
3-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 469.51 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 37399519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).