[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone

C18H19N5O2 — CID 34953369

IUPAC[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESNc1nc(CN2CCN(C(=O)c3ccoc3)CC2)nc2ccccc12
InChIInChI=1S/C18H19N5O2/c19-17-14-3-1-2-4-15(14)20-16(21-17)11-22-6-8-23(9-7-22)18(24)13-5-10-25-12-13/h1-5,10,12H,6-9,11H2,(H2,19,20,21)
InChIKeyPUPKJSFOTWYJCL-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.76
Rot. Bonds3

About [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone

[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone (PubChem CID 34953369) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
PubChem CID34953369
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESNc1nc(CN2CCN(C(=O)c3ccoc3)CC2)nc2ccccc12
InChIInChI=1S/C18H19N5O2/c19-17-14-3-1-2-4-15(14)20-16(21-17)11-22-6-8-23(9-7-22)18(24)13-5-10-25-12-13/h1-5,10,12H,6-9,11H2,(H2,19,20,21)
InChIKeyPUPKJSFOTWYJCL-UHFFFAOYSA-N
XLogP1.76
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 37131062
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 37131059
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 33120801
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 37129641
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 37132816
2-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile
CID 37129585
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid
CID 167806447
cis-(1R,3S)-3-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065822
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 37130459
7-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-3-propan-2-yl-1H-quinazoline-2,4-dione
CID 39880184
2-[[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 30648593
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 33120826

Frequently Asked Questions

What is the IUPAC name of [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone (CID 34953369) is [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone is Nc1nc(CN2CCN(C(=O)c3ccoc3)CC2)nc2ccccc12.
What is the InChIKey of [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone?
The InChIKey is PUPKJSFOTWYJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c19-17-14-3-1-2-4-15(14)20-16(21-17)11-22-6-8-23(9-7-22)18(24)13-5-10-25-12-13/h1-5,10,12H,6-9,11H2,(H2,19,20,21).
What are the key properties of [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone?
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone has a molecular weight of 337.38 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 34953369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).