7-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-6-nitro-3H-quinazolin-4-one

C15H18N4O5 — CID 137267734

IUPAC7-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-6-nitro-3H-quinazolin-4-one
SMILESCOCC1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC(C)O1
InChIInChI=1S/C15H18N4O5/c1-9-5-18(6-10(24-9)7-23-2)13-4-12-11(3-14(13)19(21)22)15(20)17-8-16-12/h3-4,8-10H,5-7H2,1-2H3,(H,16,17,20)
InChIKeyANNDXJLMGZAMMQ-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.07
Rot. Bonds4

About 7-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-6-nitro-3H-quinazolin-4-one

7-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-6-nitro-3H-quinazolin-4-one (PubChem CID 137267734) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 7-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-6-nitro-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-6-nitro-3H-quinazolin-4-one
PubChem CID137267734
Molecular FormulaC15H18N4O5
Molecular Weight334.33 g/mol
Exact Mass334.13
IUPAC Name7-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-6-nitro-3H-quinazolin-4-one
SMILESCOCC1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC(C)O1
InChIInChI=1S/C15H18N4O5/c1-9-5-18(6-10(24-9)7-23-2)13-4-12-11(3-14(13)19(21)22)15(20)17-8-16-12/h3-4,8-10H,5-7H2,1-2H3,(H,16,17,20)
InChIKeyANNDXJLMGZAMMQ-UHFFFAOYSA-N
XLogP1.07
TPSA110.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-6-nitro-3H-quinazolin-4-one
CID 135931380
7-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-6-nitro-3H-quinazolin-4-one
CID 137269933
6-nitro-7-[3-(phenoxymethyl)piperidin-1-yl]-3H-quinazolin-4-one
CID 137258171
7-[4-(2-methylphenyl)piperidin-1-yl]-6-nitro-3H-quinazolin-4-one
CID 137268162
6-nitro-7-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-3H-quinazolin-4-one
CID 137257777
7-(2,3-dimethylpyrrolidin-1-yl)-6-nitro-3H-quinazolin-4-one
CID 137263206
7-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]-6-nitro-3H-quinazolin-4-one
CID 137263083
7-[3-(1-hydroxyethyl)piperidin-1-yl]-6-nitro-3H-quinazolin-4-one
CID 137268711
7-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-nitro-3H-quinazolin-4-one
CID 136764509
7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-nitro-3H-quinazolin-4-one
CID 135877311
N-butyl-1-(6-nitro-4-oxo-3H-quinazolin-7-yl)piperidine-3-carboxamide
CID 137263987
4-[4-(6-nitro-4-oxo-3H-quinazolin-7-yl)piperazin-1-yl]benzamide
CID 137271171

Frequently Asked Questions

What is the IUPAC name of 7-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-6-nitro-3H-quinazolin-4-one?
The IUPAC name of 7-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-6-nitro-3H-quinazolin-4-one (CID 137267734) is 7-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-6-nitro-3H-quinazolin-4-one.
What is the SMILES notation for 7-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-6-nitro-3H-quinazolin-4-one?
The canonical SMILES for 7-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-6-nitro-3H-quinazolin-4-one is COCC1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC(C)O1.
What is the InChIKey of 7-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-6-nitro-3H-quinazolin-4-one?
The InChIKey is ANNDXJLMGZAMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5/c1-9-5-18(6-10(24-9)7-23-2)13-4-12-11(3-14(13)19(21)22)15(20)17-8-16-12/h3-4,8-10H,5-7H2,1-2H3,(H,16,17,20).
What are the key properties of 7-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-6-nitro-3H-quinazolin-4-one?
7-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-6-nitro-3H-quinazolin-4-one has a molecular weight of 334.33 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-6-nitro-3H-quinazolin-4-one is sourced from PubChem (CID 137267734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).