2-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]ethylphosphonous acid

C17H24N3O4P — CID 154672995

IUPAC2-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]ethylphosphonous acid
SMILESCOc1cc2ncnc(C3CCN(CCP(O)O)CC3)c2cc1OC
InChIInChI=1S/C17H24N3O4P/c1-23-15-9-13-14(10-16(15)24-2)18-11-19-17(13)12-3-5-20(6-4-12)7-8-25(21)22/h9-12,21-22H,3-8H2,1-2H3
InChIKeyVHGKRYPKOSKIRH-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.12
Rot. Bonds6

About 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]ethylphosphonous acid

2-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]ethylphosphonous acid (PubChem CID 154672995) has the molecular formula C17H24N3O4P and a molecular weight of 365.37 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]ethylphosphonous acid.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]ethylphosphonous acid
PubChem CID154672995
Molecular FormulaC17H24N3O4P
Molecular Weight365.37 g/mol
Exact Mass365.15
IUPAC Name2-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]ethylphosphonous acid
SMILESCOc1cc2ncnc(C3CCN(CCP(O)O)CC3)c2cc1OC
InChIInChI=1S/C17H24N3O4P/c1-23-15-9-13-14(10-16(15)24-2)18-11-19-17(13)12-3-5-20(6-4-12)7-8-25(21)22/h9-12,21-22H,3-8H2,1-2H3
InChIKeyVHGKRYPKOSKIRH-UHFFFAOYSA-N
XLogP2.12
TPSA87.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]methyl dihydrogen phosphate
CID 162511263
4-cyclohexyl-6,7-dimethoxyquinazoline
CID 67650996
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid;ethane
CID 157041419
1-[2-(6-methoxy-4-piperidin-4-ylquinazolin-7-yl)oxyethyl]pyrrolidin-2-one
CID 141169592
4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 58770728
N-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-N-phenylformamide
CID 174565011
[4-(6,7-dimethoxyquinazolin-4-yl)cyclohexyl] ethyl hydrogen phosphate
CID 175544920
[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone
CID 139466459
4-chloro-6-methoxy-7-[(4-methylpiperidin-1-yl)methoxy]quinazoline
CID 91903082
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane
CID 154673008
2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol
CID 141094981
6,7-dimethoxy-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
CID 175487045

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]ethylphosphonous acid?
The IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]ethylphosphonous acid (CID 154672995) is 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]ethylphosphonous acid.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]ethylphosphonous acid?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]ethylphosphonous acid is COc1cc2ncnc(C3CCN(CCP(O)O)CC3)c2cc1OC.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]ethylphosphonous acid?
The InChIKey is VHGKRYPKOSKIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N3O4P/c1-23-15-9-13-14(10-16(15)24-2)18-11-19-17(13)12-3-5-20(6-4-12)7-8-25(21)22/h9-12,21-22H,3-8H2,1-2H3.
What are the key properties of 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]ethylphosphonous acid?
2-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]ethylphosphonous acid has a molecular weight of 365.37 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]ethylphosphonous acid is sourced from PubChem (CID 154672995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).