2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C20H28N6O2 — CID 78835198

IUPAC2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESNc1nc(CN2CCN(CC(=O)NCC3CCCO3)CC2)nc2ccccc12
InChIInChI=1S/C20H28N6O2/c21-20-16-5-1-2-6-17(16)23-18(24-20)13-25-7-9-26(10-8-25)14-19(27)22-12-15-4-3-11-28-15/h1-2,5-6,15H,3-4,7-14H2,(H,22,27)(H2,21,23,24)
InChIKeyWSOLBWNXWGJDMQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP0.62
Rot. Bonds6

About 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 78835198) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID78835198
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESNc1nc(CN2CCN(CC(=O)NCC3CCCO3)CC2)nc2ccccc12
InChIInChI=1S/C20H28N6O2/c21-20-16-5-1-2-6-17(16)23-18(24-20)13-25-7-9-26(10-8-25)14-19(27)22-12-15-4-3-11-28-15/h1-2,5-6,15H,3-4,7-14H2,(H,22,27)(H2,21,23,24)
InChIKeyWSOLBWNXWGJDMQ-UHFFFAOYSA-N
XLogP0.62
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124756613
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16810440
2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 30649212
2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide
CID 42931762
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 61014916
2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8694091
2-(2-ethylquinazolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 3749912
2-(4-hydroxypiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27070171
3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 109015843
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 78834128
3-(2-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 36994619
2-(4-methylquinazolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 934223

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 78835198) is 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is Nc1nc(CN2CCN(CC(=O)NCC3CCCO3)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is WSOLBWNXWGJDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c21-20-16-5-1-2-6-17(16)23-18(24-20)13-25-7-9-26(10-8-25)14-19(27)22-12-15-4-3-11-28-15/h1-2,5-6,15H,3-4,7-14H2,(H,22,27)(H2,21,23,24).
What are the key properties of 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 384.48 g/mol, XLogP of 0.62, 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-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 78835198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).