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

C15H21N3O2 — CID 82008971

IUPAC6-[amino-(3-methyloxolan-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCC1CCOC1C(N)c1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C15H21N3O2/c1-9-5-6-20-14(9)13(16)10-3-4-12-11(7-10)8-18(2)15(19)17-12/h3-4,7,9,13-14H,5-6,8,16H2,1-2H3,(H,17,19)
InChIKeyNUMCVQGEFSMTQM-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.09
Rot. Bonds2

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

6-[amino-(3-methyloxolan-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 82008971) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-[amino-(3-methyloxolan-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-[amino-(3-methyloxolan-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID82008971
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-[amino-(3-methyloxolan-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCC1CCOC1C(N)c1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C15H21N3O2/c1-9-5-6-20-14(9)13(16)10-3-4-12-11(7-10)8-18(2)15(19)17-12/h3-4,7,9,13-14H,5-6,8,16H2,1-2H3,(H,17,19)
InChIKeyNUMCVQGEFSMTQM-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-(3-methyloxolan-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-[amino-(3-methyloxolan-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one (CID 82008971) is 6-[amino-(3-methyloxolan-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-[amino-(3-methyloxolan-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-[amino-(3-methyloxolan-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one is CC1CCOC1C(N)c1ccc2c(c1)CN(C)C(=O)N2.
What is the InChIKey of 6-[amino-(3-methyloxolan-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is NUMCVQGEFSMTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-5-6-20-14(9)13(16)10-3-4-12-11(7-10)8-18(2)15(19)17-12/h3-4,7,9,13-14H,5-6,8,16H2,1-2H3,(H,17,19).
What are the key properties of 6-[amino-(3-methyloxolan-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
6-[amino-(3-methyloxolan-2-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-(3-methyloxolan-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 82008971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).