6-amino-3-[(4-methylmorpholin-2-yl)methyl]quinazolin-4-one

C14H18N4O2 — CID 79172302

IUPAC6-amino-3-[(4-methylmorpholin-2-yl)methyl]quinazolin-4-one
SMILESCN1CCOC(Cn2cnc3ccc(N)cc3c2=O)C1
InChIInChI=1S/C14H18N4O2/c1-17-4-5-20-11(7-17)8-18-9-16-13-3-2-10(15)6-12(13)14(18)19/h2-3,6,9,11H,4-5,7-8,15H2,1H3
InChIKeyILFUWWNFMNXLQY-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.31
Rot. Bonds2

About 6-amino-3-[(4-methylmorpholin-2-yl)methyl]quinazolin-4-one

6-amino-3-[(4-methylmorpholin-2-yl)methyl]quinazolin-4-one (PubChem CID 79172302) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-amino-3-[(4-methylmorpholin-2-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-amino-3-[(4-methylmorpholin-2-yl)methyl]quinazolin-4-one
PubChem CID79172302
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name6-amino-3-[(4-methylmorpholin-2-yl)methyl]quinazolin-4-one
SMILESCN1CCOC(Cn2cnc3ccc(N)cc3c2=O)C1
InChIInChI=1S/C14H18N4O2/c1-17-4-5-20-11(7-17)8-18-9-16-13-3-2-10(15)6-12(13)14(18)19/h2-3,6,9,11H,4-5,7-8,15H2,1H3
InChIKeyILFUWWNFMNXLQY-UHFFFAOYSA-N
XLogP0.31
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methylmorpholine
CID 116620895
6-amino-3-(3-ethylsulfanylpropyl)quinazolin-4-one
CID 113473546
6-amino-3-[(2-methyltetrazol-5-yl)methyl]quinazolin-4-one
CID 107042807
1-[(4-methylmorpholin-2-yl)methyl]imidazol-4-amine
CID 165465345
4-chloro-3-[(4-methylmorpholin-2-yl)methylsulfonyl]aniline
CID 81201070
4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79166940
6-amino-3-(oxan-4-yl)quinazolin-4-one
CID 170377229
1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde
CID 79182107
[3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine
CID 79078229
1-[(4-methylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 79182622
1-[(4-methylmorpholin-2-yl)methyl]indol-4-amine
CID 79172400
6-amino-3-[2-(2,2,2-trifluoroethoxy)ethyl]quinazolin-4-one
CID 61490842

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(4-methylmorpholin-2-yl)methyl]quinazolin-4-one?
The IUPAC name of 6-amino-3-[(4-methylmorpholin-2-yl)methyl]quinazolin-4-one (CID 79172302) is 6-amino-3-[(4-methylmorpholin-2-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 6-amino-3-[(4-methylmorpholin-2-yl)methyl]quinazolin-4-one?
The canonical SMILES for 6-amino-3-[(4-methylmorpholin-2-yl)methyl]quinazolin-4-one is CN1CCOC(Cn2cnc3ccc(N)cc3c2=O)C1.
What is the InChIKey of 6-amino-3-[(4-methylmorpholin-2-yl)methyl]quinazolin-4-one?
The InChIKey is ILFUWWNFMNXLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17-4-5-20-11(7-17)8-18-9-16-13-3-2-10(15)6-12(13)14(18)19/h2-3,6,9,11H,4-5,7-8,15H2,1H3.
What are the key properties of 6-amino-3-[(4-methylmorpholin-2-yl)methyl]quinazolin-4-one?
6-amino-3-[(4-methylmorpholin-2-yl)methyl]quinazolin-4-one has a molecular weight of 274.32 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[(4-methylmorpholin-2-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 79172302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).