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

C19H25N5O3 — CID 137174071

IUPAC2-[[(2S)-2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
SMILESC[C@H]1CNCCN1C(=O)[C@@H]1CN(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-BBRMVZONSA-N
MW371.44 g/mol
LogP-0.06
Rot. Bonds3

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

2-[[(2S)-2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one (PubChem CID 137174071) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[[(2S)-2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[(2S)-2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
PubChem CID137174071
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name2-[[(2S)-2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
SMILESC[C@H]1CNCCN1C(=O)[C@@H]1CN(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-BBRMVZONSA-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-[[(2S)-2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 137127767
2-[[(2S)-2-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 137097315
4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-piperidin-3-ylmorpholine-2-carboxamide
CID 137140921
2-[[2-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 137229611
N-(2-methylpiperidin-3-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 137159327
4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N'-quinoxalin-2-ylmorpholine-2-carbohydrazide
CID 154841493
2-[[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 154837326
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 137077527
N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide
CID 139005887
2-[[3-[(2R)-2-methylpiperazin-1-yl]-3-oxopropyl]sulfanylmethyl]-3H-quinazolin-4-one;hydrochloride
CID 137127749
2-[[3-(2-methylpiperazin-1-yl)-3-oxopropyl]sulfanylmethyl]-3H-quinazolin-4-one;hydrochloride
CID 137146533
N-(2-amino-2-cyclopropylethyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 137147916

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[(2S)-2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one (CID 137174071) is 2-[[(2S)-2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[(2S)-2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[(2S)-2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one is C[C@H]1CNCCN1C(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1.
What is the InChIKey of 2-[[(2S)-2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one?
The InChIKey is VFXOFKLLJSXBQZ-BBRMVZONSA-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-[[(2S)-2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one?
2-[[(2S)-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-[[(2S)-2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137174071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).