2-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]ethyl-methylphosphinic acid

C18H26N3O2P — CID 170032979

IUPAC2-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]ethyl-methylphosphinic acid
SMILESCc1cc2ncnc(N3CCC(CCP(C)(=O)O)CC3)c2cc1C
InChIInChI=1S/C18H26N3O2P/c1-13-10-16-17(11-14(13)2)19-12-20-18(16)21-7-4-15(5-8-21)6-9-24(3,22)23/h10-12,15H,4-9H2,1-3H3,(H,22,23)
InChIKeyWLTYCOKJKVSMOS-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.75
Rot. Bonds4

About 2-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]ethyl-methylphosphinic acid

2-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]ethyl-methylphosphinic acid (PubChem CID 170032979) has the molecular formula C18H26N3O2P and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]ethyl-methylphosphinic acid.

Molecular Properties

Compound Name2-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]ethyl-methylphosphinic acid
PubChem CID170032979
Molecular FormulaC18H26N3O2P
Molecular Weight347.40 g/mol
Exact Mass347.18
IUPAC Name2-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]ethyl-methylphosphinic acid
SMILESCc1cc2ncnc(N3CCC(CCP(C)(=O)O)CC3)c2cc1C
InChIInChI=1S/C18H26N3O2P/c1-13-10-16-17(11-14(13)2)19-12-20-18(16)21-7-4-15(5-8-21)6-9-24(3,22)23/h10-12,15H,4-9H2,1-3H3,(H,22,23)
InChIKeyWLTYCOKJKVSMOS-UHFFFAOYSA-N
XLogP3.75
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]propanoic acid
CID 167574720
2-[1-([1,3]dioxolo[4,5-g]quinazolin-8-yl)piperidin-4-yl]ethylphosphonic acid
CID 138468657
6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline
CID 159739862
propan-2-yl (2S)-2-[[2-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]ethyl-phenoxyphosphoryl]amino]propanoate
CID 163557981
N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-(propan-2-ylamino)phosphoryl]propan-2-amine
CID 138468581
2-[1-[7-(2-methylpropoxy)quinazolin-4-yl]piperidin-4-yl]ethylphosphonic acid
CID 138468207
2-[1-(3-cyano-6,7-dimethylquinolin-4-yl)piperidin-4-yl]ethylphosphonic acid
CID 167659633
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethoxy-phenylphosphinic acid
CID 175033782
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]quinazolin-6-yl] dihydrogen phosphate
CID 155125330
4-(3-cyclobutylazetidin-1-yl)-6,7-dimethylquinazoline
CID 154757784
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid
CID 155125453

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]ethyl-methylphosphinic acid?
The IUPAC name of 2-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]ethyl-methylphosphinic acid (CID 170032979) is 2-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]ethyl-methylphosphinic acid.
What is the SMILES notation for 2-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]ethyl-methylphosphinic acid?
The canonical SMILES for 2-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]ethyl-methylphosphinic acid is Cc1cc2ncnc(N3CCC(CCP(C)(=O)O)CC3)c2cc1C.
What is the InChIKey of 2-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]ethyl-methylphosphinic acid?
The InChIKey is WLTYCOKJKVSMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N3O2P/c1-13-10-16-17(11-14(13)2)19-12-20-18(16)21-7-4-15(5-8-21)6-9-24(3,22)23/h10-12,15H,4-9H2,1-3H3,(H,22,23).
What are the key properties of 2-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]ethyl-methylphosphinic acid?
2-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]ethyl-methylphosphinic acid has a molecular weight of 347.40 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]ethyl-methylphosphinic acid is sourced from PubChem (CID 170032979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).