[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]methyl dihydrogen phosphate

C16H22N3O6P — CID 162511263

IUPAC[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]methyl dihydrogen phosphate
SMILESCOc1cc2ncnc(C3CCN(COP(=O)(O)O)CC3)c2cc1OC
InChIInChI=1S/C16H22N3O6P/c1-23-14-7-12-13(8-15(14)24-2)17-9-18-16(12)11-3-5-19(6-4-11)10-25-26(20,21)22/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21,22)
InChIKeyJAJOWDLHMQSEOK-UHFFFAOYSA-N
MW383.34 g/mol
LogP1.89
Rot. Bonds6

About [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]methyl dihydrogen phosphate

[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]methyl dihydrogen phosphate (PubChem CID 162511263) has the molecular formula C16H22N3O6P and a molecular weight of 383.34 g/mol. Its IUPAC name is [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]methyl dihydrogen phosphate
PubChem CID162511263
Molecular FormulaC16H22N3O6P
Molecular Weight383.34 g/mol
Exact Mass383.12
IUPAC Name[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]methyl dihydrogen phosphate
SMILESCOc1cc2ncnc(C3CCN(COP(=O)(O)O)CC3)c2cc1OC
InChIInChI=1S/C16H22N3O6P/c1-23-14-7-12-13(8-15(14)24-2)17-9-18-16(12)11-3-5-19(6-4-11)10-25-26(20,21)22/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21,22)
InChIKeyJAJOWDLHMQSEOK-UHFFFAOYSA-N
XLogP1.89
TPSA114.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 51.89
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

2-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]ethylphosphonous acid
CID 154672995
[4-(6,7-dimethoxyquinazolin-4-yl)cyclohexyl] ethyl hydrogen phosphate
CID 175544920
4-cyclohexyl-6,7-dimethoxyquinazoline
CID 67650996
N-[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-N-phenylformamide
CID 174565011
4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 58770728
4-chloro-6-methoxy-7-[(4-methylpiperidin-1-yl)methoxy]quinazoline
CID 91903082
[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone
CID 139466459
1-[2-(6-methoxy-4-piperidin-4-ylquinazolin-7-yl)oxyethyl]pyrrolidin-2-one
CID 141169592
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethoxy-phenylphosphinic acid
CID 175033782
2-[1-[(6,7-dimethoxyquinazolin-4-yl)methyl]piperidin-4-yl]ethyl carbamate
CID 175196931
[7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazolin-6-yl] dihydrogen phosphate
CID 155125330
N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-(propan-2-ylamino)phosphoryl]propan-2-amine
CID 138468581

Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]methyl dihydrogen phosphate?
The IUPAC name of [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]methyl dihydrogen phosphate (CID 162511263) is [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]methyl dihydrogen phosphate?
The canonical SMILES for [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]methyl dihydrogen phosphate is COc1cc2ncnc(C3CCN(COP(=O)(O)O)CC3)c2cc1OC.
What is the InChIKey of [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]methyl dihydrogen phosphate?
The InChIKey is JAJOWDLHMQSEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N3O6P/c1-23-14-7-12-13(8-15(14)24-2)17-9-18-16(12)11-3-5-19(6-4-11)10-25-26(20,21)22/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21,22).
What are the key properties of [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]methyl dihydrogen phosphate?
[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]methyl dihydrogen phosphate has a molecular weight of 383.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 162511263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).