6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one

C14H18N2O2 — CID 82010582

IUPAC6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCC1CC1C(O)c1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C14H18N2O2/c1-8-5-11(8)13(17)9-3-4-12-10(6-9)7-16(2)14(18)15-12/h3-4,6,8,11,13,17H,5,7H2,1-2H3,(H,15,18)
InChIKeyZZCJLVUTEKIVDS-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.35
Rot. Bonds2

About 6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one

6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 82010582) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID82010582
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCC1CC1C(O)c1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C14H18N2O2/c1-8-5-11(8)13(17)9-3-4-12-10(6-9)7-16(2)14(18)15-12/h3-4,6,8,11,13,17H,5,7H2,1-2H3,(H,15,18)
InChIKeyZZCJLVUTEKIVDS-UHFFFAOYSA-N
XLogP2.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one (CID 82010582) is 6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one is CC1CC1C(O)c1ccc2c(c1)CN(C)C(=O)N2.
What is the InChIKey of 6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is ZZCJLVUTEKIVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-8-5-11(8)13(17)9-3-4-12-10(6-9)7-16(2)14(18)15-12/h3-4,6,8,11,13,17H,5,7H2,1-2H3,(H,15,18).
What are the key properties of 6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 82010582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).