ethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate

C17H19N3O3 — CID 124514606

IUPACethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(c2ncnc3ccc(C=O)cc23)C1
InChIInChI=1S/C17H19N3O3/c1-2-23-17(22)13-4-3-7-20(9-13)16-14-8-12(10-21)5-6-15(14)18-11-19-16/h5-6,8,10-11,13H,2-4,7,9H2,1H3/t13-/m1/s1
InChIKeyRYFOGQACKLNAMA-CYBMUJFWSA-N
MW313.36 g/mol
LogP2.22
Rot. Bonds4

About ethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate

ethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate (PubChem CID 124514606) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is ethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate
PubChem CID124514606
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Nameethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(c2ncnc3ccc(C=O)cc23)C1
InChIInChI=1S/C17H19N3O3/c1-2-23-17(22)13-4-3-7-20(9-13)16-14-8-12(10-21)5-6-15(14)18-11-19-16/h5-6,8,10-11,13H,2-4,7,9H2,1H3/t13-/m1/s1
InChIKeyRYFOGQACKLNAMA-CYBMUJFWSA-N
XLogP2.22
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 19137273
1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid
CID 21002829
ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 102687115
ethyl 1-[5-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19135200
ethyl (3S)-1-furo[3,2-c]pyridin-4-ylpiperidine-3-carboxylate
CID 99636617
N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 133278233
ethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate
CID 126849578
4-(4-methylpiperazin-1-yl)quinazoline-6-carbaldehyde
CID 57469649
ethyl 1-(1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidine-3-carboxylate
CID 56730294
ethyl 1-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142332
ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate
CID 113371227
ethyl 1-[5-amino-6-(4-bromophenoxy)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142349

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate (CID 124514606) is ethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(c2ncnc3ccc(C=O)cc23)C1.
What is the InChIKey of ethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate?
The InChIKey is RYFOGQACKLNAMA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-2-23-17(22)13-4-3-7-20(9-13)16-14-8-12(10-21)5-6-15(14)18-11-19-16/h5-6,8,10-11,13H,2-4,7,9H2,1H3/t13-/m1/s1.
What are the key properties of ethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate?
ethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate is sourced from PubChem (CID 124514606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).