2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid

C16H22N3O3P — CID 154673037

IUPAC2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid
SMILESCOc1ccc2c(N3CCC(CCP(O)O)CC3)ncnc2c1
InChIInChI=1S/C16H22N3O3P/c1-22-13-2-3-14-15(10-13)17-11-18-16(14)19-7-4-12(5-8-19)6-9-23(20)21/h2-3,10-12,20-21H,4-9H2,1H3
InChIKeyDGKWTQAEDUAASW-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.54
Rot. Bonds5

About 2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid

2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid (PubChem CID 154673037) has the molecular formula C16H22N3O3P and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid.

Molecular Properties

Compound Name2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid
PubChem CID154673037
Molecular FormulaC16H22N3O3P
Molecular Weight335.34 g/mol
Exact Mass335.14
IUPAC Name2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid
SMILESCOc1ccc2c(N3CCC(CCP(O)O)CC3)ncnc2c1
InChIInChI=1S/C16H22N3O3P/c1-22-13-2-3-14-15(10-13)17-11-18-16(14)19-7-4-12(5-8-19)6-9-23(20)21/h2-3,10-12,20-21H,4-9H2,1H3
InChIKeyDGKWTQAEDUAASW-UHFFFAOYSA-N
XLogP2.54
TPSA78.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid;ethane
CID 157041419
7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline
CID 54583395
4-(azepan-1-yl)-7-methoxyquinazoline
CID 110433303
2-[1-(7-imidazol-1-ylquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid
CID 142542945
7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline
CID 110433305
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane
CID 154673008
2-[1-[7-(2-methylpropoxy)quinazolin-4-yl]piperidin-4-yl]ethylphosphonic acid
CID 138468207
2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]ethanol
CID 177345975
2-[1-(2-methylquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid
CID 142542808
1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide
CID 21002803
4-(azepan-1-yl)-6-methoxyquinazoline
CID 21002922
methyl hydrogen sulfate;7-nitro-4-[4-[3-[1-(7-nitroquinazolin-4-yl)piperidin-4-yl]propyl]piperidin-1-yl]quinazoline
CID 45049598

Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid?
The IUPAC name of 2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid (CID 154673037) is 2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid.
What is the SMILES notation for 2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid?
The canonical SMILES for 2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid is COc1ccc2c(N3CCC(CCP(O)O)CC3)ncnc2c1.
What is the InChIKey of 2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid?
The InChIKey is DGKWTQAEDUAASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N3O3P/c1-22-13-2-3-14-15(10-13)17-11-18-16(14)19-7-4-12(5-8-19)6-9-23(20)21/h2-3,10-12,20-21H,4-9H2,1H3.
What are the key properties of 2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid?
2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid has a molecular weight of 335.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid is sourced from PubChem (CID 154673037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).