2-(1-methoxy-2-methylpropyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

C15H22N2O3 — CID 116727439

IUPAC2-(1-methoxy-2-methylpropyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCOC(c1nc(C)c2c(n1)CCC(C(=O)O)C2)C(C)C
InChIInChI=1S/C15H22N2O3/c1-8(2)13(20-4)14-16-9(3)11-7-10(15(18)19)5-6-12(11)17-14/h8,10,13H,5-7H2,1-4H3,(H,18,19)
InChIKeyZUWSUDCINHGUDA-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.32
Rot. Bonds4

About 2-(1-methoxy-2-methylpropyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

2-(1-methoxy-2-methylpropyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 116727439) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(1-methoxy-2-methylpropyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxy-2-methylpropyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID116727439
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(1-methoxy-2-methylpropyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCOC(c1nc(C)c2c(n1)CCC(C(=O)O)C2)C(C)C
InChIInChI=1S/C15H22N2O3/c1-8(2)13(20-4)14-16-9(3)11-7-10(15(18)19)5-6-12(11)17-14/h8,10,13H,5-7H2,1-4H3,(H,18,19)
InChIKeyZUWSUDCINHGUDA-UHFFFAOYSA-N
XLogP2.32
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-2-methylpropyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 2-(1-methoxy-2-methylpropyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 116727439) is 2-(1-methoxy-2-methylpropyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 2-(1-methoxy-2-methylpropyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 2-(1-methoxy-2-methylpropyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is COC(c1nc(C)c2c(n1)CCC(C(=O)O)C2)C(C)C.
What is the InChIKey of 2-(1-methoxy-2-methylpropyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is ZUWSUDCINHGUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-8(2)13(20-4)14-16-9(3)11-7-10(15(18)19)5-6-12(11)17-14/h8,10,13H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 2-(1-methoxy-2-methylpropyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
2-(1-methoxy-2-methylpropyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-2-methylpropyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 116727439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).