2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide

C21H26N6O2 — CID 42931762

IUPAC2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CN1CCN(Cc2nc(N)c3ccccc3n2)CC1)c1ccco1
InChIInChI=1S/C21H26N6O2/c1-15(18-7-4-12-29-18)23-20(28)14-27-10-8-26(9-11-27)13-19-24-17-6-3-2-5-16(17)21(22)25-19/h2-7,12,15H,8-11,13-14H2,1H3,(H,23,28)(H2,22,24,25)
InChIKeyXCBKAFPUKDWJNJ-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.80
Rot. Bonds6

About 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide

2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide (PubChem CID 42931762) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide
PubChem CID42931762
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CN1CCN(Cc2nc(N)c3ccccc3n2)CC1)c1ccco1
InChIInChI=1S/C21H26N6O2/c1-15(18-7-4-12-29-18)23-20(28)14-27-10-8-26(9-11-27)13-19-24-17-6-3-2-5-16(17)21(22)25-19/h2-7,12,15H,8-11,13-14H2,1H3,(H,23,28)(H2,22,24,25)
InChIKeyXCBKAFPUKDWJNJ-UHFFFAOYSA-N
XLogP1.80
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 30649212
N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8596472
2-(4-aminopiperidin-1-yl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 43556867
N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8597892
N-[1-(furan-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 43162415
2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 78835198
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 37129641
2-(4-benzylpiperidin-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 9430556
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 34953369
N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
CID 95278550
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 37132816
N-[(2R)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 31866245

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide (CID 42931762) is 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide is CC(NC(=O)CN1CCN(Cc2nc(N)c3ccccc3n2)CC1)c1ccco1.
What is the InChIKey of 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide?
The InChIKey is XCBKAFPUKDWJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-15(18-7-4-12-29-18)23-20(28)14-27-10-8-26(9-11-27)13-19-24-17-6-3-2-5-16(17)21(22)25-19/h2-7,12,15H,8-11,13-14H2,1H3,(H,23,28)(H2,22,24,25).
What are the key properties of 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide?
2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide has a molecular weight of 394.48 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 42931762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).