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

C16H22N3O2P — CID 142542808

IUPAC2-[1-(2-methylquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid
SMILESCc1nc(N2CCC(CCP(O)O)CC2)c2ccccc2n1
InChIInChI=1S/C16H22N3O2P/c1-12-17-15-5-3-2-4-14(15)16(18-12)19-9-6-13(7-10-19)8-11-22(20)21/h2-5,13,20-21H,6-11H2,1H3
InChIKeyJFTJECRQLABFMP-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.84
Rot. Bonds4

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

2-[1-(2-methylquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid (PubChem CID 142542808) has the molecular formula C16H22N3O2P and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[1-(2-methylquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid.

Molecular Properties

Compound Name2-[1-(2-methylquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid
PubChem CID142542808
Molecular FormulaC16H22N3O2P
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Name2-[1-(2-methylquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid
SMILESCc1nc(N2CCC(CCP(O)O)CC2)c2ccccc2n1
InChIInChI=1S/C16H22N3O2P/c1-12-17-15-5-3-2-4-14(15)16(18-12)19-9-6-13(7-10-19)8-11-22(20)21/h2-5,13,20-21H,6-11H2,1H3
InChIKeyJFTJECRQLABFMP-UHFFFAOYSA-N
XLogP2.84
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-3-(hydroxymethyl)-1-(2-methylquinazolin-4-yl)piperidin-4-ol
CID 134710020
4-(azepan-1-yl)-2-methylquinazoline chloride
CID 53351740
2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid
CID 154673037
4-(3,3-dimethylazetidin-1-yl)-2-methylquinazoline
CID 178089563
2-methyl-4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine
CID 72919850
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid;ethane
CID 157041419
4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline
CID 10177767
2-[1-(7-imidazol-1-ylquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid
CID 142542945
2-methyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)quinazoline
CID 134706927
2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol
CID 710985
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
1-(2-methyl-7-phenylmethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 18452845

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid?
The IUPAC name of 2-[1-(2-methylquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid (CID 142542808) is 2-[1-(2-methylquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid.
What is the SMILES notation for 2-[1-(2-methylquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid?
The canonical SMILES for 2-[1-(2-methylquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid is Cc1nc(N2CCC(CCP(O)O)CC2)c2ccccc2n1.
What is the InChIKey of 2-[1-(2-methylquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid?
The InChIKey is JFTJECRQLABFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N3O2P/c1-12-17-15-5-3-2-4-14(15)16(18-12)19-9-6-13(7-10-19)8-11-22(20)21/h2-5,13,20-21H,6-11H2,1H3.
What are the key properties of 2-[1-(2-methylquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid?
2-[1-(2-methylquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid has a molecular weight of 319.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid is sourced from PubChem (CID 142542808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).