2-[4-oxo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide

C19H22N7O2+ — CID 8595292

IUPAC2-[4-oxo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide
SMILESNC(=O)Cn1c(C[NH+]2CCN(c3ncccn3)CC2)nc2ccccc2c1=O
InChIInChI=1S/C19H21N7O2/c20-16(27)12-26-17(23-15-5-2-1-4-14(15)18(26)28)13-24-8-10-25(11-9-24)19-21-6-3-7-22-19/h1-7H,8-13H2,(H2,20,27)/p+1
InChIKeySZERVECJFHLBJP-UHFFFAOYSA-O
MW380.43 g/mol
LogP-1.42
Rot. Bonds5

About 2-[4-oxo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide

2-[4-oxo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide (PubChem CID 8595292) has the molecular formula C19H22N7O2+ and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-[4-oxo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-oxo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide
PubChem CID8595292
Molecular FormulaC19H22N7O2+
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name2-[4-oxo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide
SMILESNC(=O)Cn1c(C[NH+]2CCN(c3ncccn3)CC2)nc2ccccc2c1=O
InChIInChI=1S/C19H21N7O2/c20-16(27)12-26-17(23-15-5-2-1-4-14(15)18(26)28)13-24-8-10-25(11-9-24)19-21-6-3-7-22-19/h1-7H,8-13H2,(H2,20,27)/p+1
InChIKeySZERVECJFHLBJP-UHFFFAOYSA-O
XLogP-1.42
TPSA111.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-oxo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide with MolForge

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Related Compounds

2-[2-[[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 11931853
2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 8679806
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclooctylazanium
CID 8558706
1-adamantyl-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]azanium
CID 7614296
methyl 4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylate
CID 8595371
2-[2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 9132793
methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate
CID 8754555
2-[2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetamide
CID 24522907
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 18225512
2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol
CID 7445351
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923695
2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one
CID 2487613

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide?
The IUPAC name of 2-[4-oxo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide (CID 8595292) is 2-[4-oxo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide.
What is the SMILES notation for 2-[4-oxo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide?
The canonical SMILES for 2-[4-oxo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide is NC(=O)Cn1c(C[NH+]2CCN(c3ncccn3)CC2)nc2ccccc2c1=O.
What is the InChIKey of 2-[4-oxo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide?
The InChIKey is SZERVECJFHLBJP-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21N7O2/c20-16(27)12-26-17(23-15-5-2-1-4-14(15)18(26)28)13-24-8-10-25(11-9-24)19-21-6-3-7-22-19/h1-7H,8-13H2,(H2,20,27)/p+1.
What are the key properties of 2-[4-oxo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide?
2-[4-oxo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide has a molecular weight of 380.43 g/mol, XLogP of -1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetamide is sourced from PubChem (CID 8595292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).