2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one

C19H25N5O3 — CID 137127767

IUPAC2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
SMILESC[C@H]1CNCCN1C(=O)C1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1
InChIInChI=1S/C19H25N5O3/c1-13-10-20-6-7-24(13)19(26)16-11-23(8-9-27-16)12-17-21-15-5-3-2-4-14(15)18(25)22-17/h2-5,13,16,20H,6-12H2,1H3,(H,21,22,25)/t13-,16?/m0/s1
InChIKeyVFXOFKLLJSXBQZ-KNVGNIICSA-N
MW371.44 g/mol
LogP-0.06
Rot. Bonds3

About 2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one

2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one (PubChem CID 137127767) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
PubChem CID137127767
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
SMILESC[C@H]1CNCCN1C(=O)C1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1
InChIInChI=1S/C19H25N5O3/c1-13-10-20-6-7-24(13)19(26)16-11-23(8-9-27-16)12-17-21-15-5-3-2-4-14(15)18(25)22-17/h2-5,13,16,20H,6-12H2,1H3,(H,21,22,25)/t13-,16?/m0/s1
InChIKeyVFXOFKLLJSXBQZ-KNVGNIICSA-N
XLogP-0.06
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one (CID 137127767) is 2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one is C[C@H]1CNCCN1C(=O)C1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1.
What is the InChIKey of 2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one?
The InChIKey is VFXOFKLLJSXBQZ-KNVGNIICSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-13-10-20-6-7-24(13)19(26)16-11-23(8-9-27-16)12-17-21-15-5-3-2-4-14(15)18(25)22-17/h2-5,13,16,20H,6-12H2,1H3,(H,21,22,25)/t13-,16?/m0/s1.
What are the key properties of 2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one?
2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one has a molecular weight of 371.44 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137127767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).