1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid

C16H19N3O3 — CID 118759012

IUPAC1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid
SMILESCOc1ccc2c(C)nc(N3CCC(C(=O)O)CC3)nc2c1
InChIInChI=1S/C16H19N3O3/c1-10-13-4-3-12(22-2)9-14(13)18-16(17-10)19-7-5-11(6-8-19)15(20)21/h3-4,9,11H,5-8H2,1-2H3,(H,20,21)
InChIKeyOAHUHZDXRNBRGB-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.25
Rot. Bonds3

About 1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid

1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid (PubChem CID 118759012) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid
PubChem CID118759012
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid
SMILESCOc1ccc2c(C)nc(N3CCC(C(=O)O)CC3)nc2c1
InChIInChI=1S/C16H19N3O3/c1-10-13-4-3-12(22-2)9-14(13)18-16(17-10)19-7-5-11(6-8-19)15(20)21/h3-4,9,11H,5-8H2,1-2H3,(H,20,21)
InChIKeyOAHUHZDXRNBRGB-UHFFFAOYSA-N
XLogP2.25
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid (CID 118759012) is 1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid is COc1ccc2c(C)nc(N3CCC(C(=O)O)CC3)nc2c1.
What is the InChIKey of 1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is OAHUHZDXRNBRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-13-4-3-12(22-2)9-14(13)18-16(17-10)19-7-5-11(6-8-19)15(20)21/h3-4,9,11H,5-8H2,1-2H3,(H,20,21).
What are the key properties of 1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid?
1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 118759012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).