1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid

C15H17N3O3 — CID 21002829

IUPAC1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid
SMILESCOc1ccc2ncnc(N3CCCC(C(=O)O)C3)c2c1
InChIInChI=1S/C15H17N3O3/c1-21-11-4-5-13-12(7-11)14(17-9-16-13)18-6-2-3-10(8-18)15(19)20/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,19,20)
InChIKeyCWZSEHTZECDOCM-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.94
Rot. Bonds3

About 1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid

1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid (PubChem CID 21002829) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid
PubChem CID21002829
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid
SMILESCOc1ccc2ncnc(N3CCCC(C(=O)O)C3)c2c1
InChIInChI=1S/C15H17N3O3/c1-21-11-4-5-13-12(7-11)14(17-9-16-13)18-6-2-3-10(8-18)15(19)20/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,19,20)
InChIKeyCWZSEHTZECDOCM-UHFFFAOYSA-N
XLogP1.94
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-yl)-6-methoxyquinazoline
CID 21002922
1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide
CID 21002803
7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline
CID 110433305
(3S)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid
CID 94216624
(3S)-1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 157377652
N-cyclopropyl-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-3-carboxamide
CID 165435283
(3R)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 2509845
ethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate
CID 124514606
(3R)-N-(2,4-dimethoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877085
(3S)-1-[6-(4-methoxyanilino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975929
4-(azepan-1-yl)-7-methoxyquinazoline
CID 110433303
2-[[1-(6-methoxyquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide
CID 168791222

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid (CID 21002829) is 1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid is COc1ccc2ncnc(N3CCCC(C(=O)O)C3)c2c1.
What is the InChIKey of 1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is CWZSEHTZECDOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-11-4-5-13-12(7-11)14(17-9-16-13)18-6-2-3-10(8-18)15(19)20/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,19,20).
What are the key properties of 1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid?
1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 21002829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).