(4-aminoquinazolin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate

C17H20N4O3 — CID 27910056

IUPAC(4-aminoquinazolin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate
SMILESNc1nc(COC(=O)CN2CCCCCC2=O)nc2ccccc12
InChIInChI=1S/C17H20N4O3/c18-17-12-6-3-4-7-13(12)19-14(20-17)11-24-16(23)10-21-9-5-1-2-8-15(21)22/h3-4,6-7H,1-2,5,8-11H2,(H2,18,19,20)
InChIKeyHKWRLLMTYCWFON-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.66
Rot. Bonds4

About (4-aminoquinazolin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate

(4-aminoquinazolin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate (PubChem CID 27910056) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate
PubChem CID27910056
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(4-aminoquinazolin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate
SMILESNc1nc(COC(=O)CN2CCCCCC2=O)nc2ccccc12
InChIInChI=1S/C17H20N4O3/c18-17-12-6-3-4-7-13(12)19-14(20-17)11-24-16(23)10-21-9-5-1-2-8-15(21)22/h3-4,6-7H,1-2,5,8-11H2,(H2,18,19,20)
InChIKeyHKWRLLMTYCWFON-UHFFFAOYSA-N
XLogP1.66
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate
CID 7727733
methyl 4-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]quinoline-3-carboxylate
CID 8603142
(4-aminoquinazolin-2-yl)methyl 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 27927046
(4-aminoquinazolin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 27908304
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate
CID 25308271
(4-aminoquinazolin-2-yl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 55453723
(4-aminoquinazolin-2-yl)methyl 6-(azepan-1-yl)pyridine-3-carboxylate
CID 38727411
(4-aminoquinazolin-2-yl)methyl 3-phenoxypropanoate
CID 27914976
3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate
CID 55401507
2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide
CID 47116839
benzyl 2-bromoacetate;benzyl 2-(2-oxopiperidin-1-yl)acetate;piperidin-2-one
CID 157206751
(4-aminoquinazolin-2-yl)methyl 3-methylbut-2-enoate
CID 27911356

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate (CID 27910056) is (4-aminoquinazolin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate is Nc1nc(COC(=O)CN2CCCCCC2=O)nc2ccccc12.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate?
The InChIKey is HKWRLLMTYCWFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c18-17-12-6-3-4-7-13(12)19-14(20-17)11-24-16(23)10-21-9-5-1-2-8-15(21)22/h3-4,6-7H,1-2,5,8-11H2,(H2,18,19,20).
What are the key properties of (4-aminoquinazolin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate?
(4-aminoquinazolin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate has a molecular weight of 328.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinazolin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate is sourced from PubChem (CID 27910056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).