1-(5-morpholin-4-ylquinazolin-4-yl)piperidine-3-carboxylic acid

C18H22N4O3 — CID 134220166

IUPAC1-(5-morpholin-4-ylquinazolin-4-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ncnc3cccc(N4CCOCC4)c23)C1
InChIInChI=1S/C18H22N4O3/c23-18(24)13-3-2-6-22(11-13)17-16-14(19-12-20-17)4-1-5-15(16)21-7-9-25-10-8-21/h1,4-5,12-13H,2-3,6-11H2,(H,23,24)
InChIKeyJFPAORQPUNEZHH-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.77
Rot. Bonds3

About 1-(5-morpholin-4-ylquinazolin-4-yl)piperidine-3-carboxylic acid

1-(5-morpholin-4-ylquinazolin-4-yl)piperidine-3-carboxylic acid (PubChem CID 134220166) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(5-morpholin-4-ylquinazolin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-morpholin-4-ylquinazolin-4-yl)piperidine-3-carboxylic acid
PubChem CID134220166
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-(5-morpholin-4-ylquinazolin-4-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ncnc3cccc(N4CCOCC4)c23)C1
InChIInChI=1S/C18H22N4O3/c23-18(24)13-3-2-6-22(11-13)17-16-14(19-12-20-17)4-1-5-15(16)21-7-9-25-10-8-21/h1,4-5,12-13H,2-3,6-11H2,(H,23,24)
InChIKeyJFPAORQPUNEZHH-UHFFFAOYSA-N
XLogP1.77
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134220212
methyl 1-[5-(3,5-dimethylpiperidin-1-yl)quinazolin-4-yl]piperidine-3-carboxylate
CID 134211180
(3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220216
1-[5-(4-chlorothiophen-2-yl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134210570
1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220206
(3R)-1-[5-(3-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220358
1-[5-(3-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220226
1-[5-(1-benzofuran-4-yl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134210414
1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134210616
(3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide
CID 94519630
1-[5-(4-acetamidocyclohexa-1,3-dien-1-yl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 142278618
(3R)-N-(cyclopropylmethyl)-1-(5-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 96566820

Frequently Asked Questions

What is the IUPAC name of 1-(5-morpholin-4-ylquinazolin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(5-morpholin-4-ylquinazolin-4-yl)piperidine-3-carboxylic acid (CID 134220166) is 1-(5-morpholin-4-ylquinazolin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-morpholin-4-ylquinazolin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-morpholin-4-ylquinazolin-4-yl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2ncnc3cccc(N4CCOCC4)c23)C1.
What is the InChIKey of 1-(5-morpholin-4-ylquinazolin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is JFPAORQPUNEZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-18(24)13-3-2-6-22(11-13)17-16-14(19-12-20-17)4-1-5-15(16)21-7-9-25-10-8-21/h1,4-5,12-13H,2-3,6-11H2,(H,23,24).
What are the key properties of 1-(5-morpholin-4-ylquinazolin-4-yl)piperidine-3-carboxylic acid?
1-(5-morpholin-4-ylquinazolin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-morpholin-4-ylquinazolin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 134220166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).