6-[amino(oxan-4-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one

C15H21N3O2 — CID 82009563

IUPAC6-[amino(oxan-4-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(N)C3CCOCC3)ccc2NC1=O
InChIInChI=1S/C15H21N3O2/c1-18-9-12-8-11(2-3-13(12)17-15(18)19)14(16)10-4-6-20-7-5-10/h2-3,8,10,14H,4-7,9,16H2,1H3,(H,17,19)
InChIKeyIDFLWZROSLLCLS-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.09
Rot. Bonds2

About 6-[amino(oxan-4-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one

6-[amino(oxan-4-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 82009563) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-[amino(oxan-4-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-[amino(oxan-4-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID82009563
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-[amino(oxan-4-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(N)C3CCOCC3)ccc2NC1=O
InChIInChI=1S/C15H21N3O2/c1-18-9-12-8-11(2-3-13(12)17-15(18)19)14(16)10-4-6-20-7-5-10/h2-3,8,10,14H,4-7,9,16H2,1H3,(H,17,19)
InChIKeyIDFLWZROSLLCLS-UHFFFAOYSA-N
XLogP2.09
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[amino(oxan-4-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-[amino(oxan-4-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one (CID 82009563) is 6-[amino(oxan-4-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-[amino(oxan-4-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-[amino(oxan-4-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one is CN1Cc2cc(C(N)C3CCOCC3)ccc2NC1=O.
What is the InChIKey of 6-[amino(oxan-4-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is IDFLWZROSLLCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18-9-12-8-11(2-3-13(12)17-15(18)19)14(16)10-4-6-20-7-5-10/h2-3,8,10,14H,4-7,9,16H2,1H3,(H,17,19).
What are the key properties of 6-[amino(oxan-4-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
6-[amino(oxan-4-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino(oxan-4-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 82009563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).