1-diethoxyphosphoryl-N-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]formamide

C19H27N4O5P — CID 166527049

IUPAC1-diethoxyphosphoryl-N-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]formamide
SMILESCCOP(=O)(OCC)C(=O)NC1CCN(c2ncnc3c(OC)cccc23)CC1
InChIInChI=1S/C19H27N4O5P/c1-4-27-29(25,28-5-2)19(24)22-14-9-11-23(12-10-14)18-15-7-6-8-16(26-3)17(15)20-13-21-18/h6-8,13-14H,4-5,9-12H2,1-3H3,(H,22,24)
InChIKeyJJQGSJGCLLNCMP-UHFFFAOYSA-N
MW422.42 g/mol
LogP3.58
Rot. Bonds8

About 1-diethoxyphosphoryl-N-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]formamide

1-diethoxyphosphoryl-N-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]formamide (PubChem CID 166527049) has the molecular formula C19H27N4O5P and a molecular weight of 422.42 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-N-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]formamide.

Molecular Properties

Compound Name1-diethoxyphosphoryl-N-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]formamide
PubChem CID166527049
Molecular FormulaC19H27N4O5P
Molecular Weight422.42 g/mol
Exact Mass422.17
IUPAC Name1-diethoxyphosphoryl-N-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]formamide
SMILESCCOP(=O)(OCC)C(=O)NC1CCN(c2ncnc3c(OC)cccc23)CC1
InChIInChI=1S/C19H27N4O5P/c1-4-27-29(25,28-5-2)19(24)22-14-9-11-23(12-10-14)18-15-7-6-8-16(26-3)17(15)20-13-21-18/h6-8,13-14H,4-5,9-12H2,1-3H3,(H,22,24)
InChIKeyJJQGSJGCLLNCMP-UHFFFAOYSA-N
XLogP3.58
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[2-diethoxyphosphoryl-1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]propanoate
CID 175387349
2-diethoxyphosphoryl-4-[1-(8-methoxyquinazolin-4-yl)piperidin-3-yl]butan-1-ol
CID 166527069
(2R)-N-cyclopropyl-2-hydroxy-2-[1-(8-methylquinazolin-4-yl)piperidin-4-yl]acetamide
CID 129489930
4-(8-methoxyquinazolin-4-yl)thiomorpholine
CID 171802301
N-[4-(2-diethoxyphosphorylethyl)cyclohexyl]-8-methoxyquinazolin-4-amine
CID 166527052
[(3S)-1-(8-methoxyquinazolin-4-yl)piperidin-3-yl]methoxymethylphosphonic acid
CID 166527093
N-[(1S,3R)-3-(2-diethoxyphosphorylethyl)cyclopentyl]-8-methoxyquinazolin-4-amine
CID 166527036
2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712543
4-[(cyclopropylsulfonimidoyl)methyl]-1-(8-methoxyquinazolin-4-yl)piperidin-4-ol
CID 157040738
bis[1-cyano-2-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]ethoxy]-oxophosphanium
CID 175387354
bis[[1-(8-methoxyquinazolin-4-yl)piperidin-3-yl]methoxy]-oxophosphanium
CID 175457534
tert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate
CID 163275284

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-N-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]formamide?
The IUPAC name of 1-diethoxyphosphoryl-N-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]formamide (CID 166527049) is 1-diethoxyphosphoryl-N-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]formamide.
What is the SMILES notation for 1-diethoxyphosphoryl-N-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]formamide?
The canonical SMILES for 1-diethoxyphosphoryl-N-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]formamide is CCOP(=O)(OCC)C(=O)NC1CCN(c2ncnc3c(OC)cccc23)CC1.
What is the InChIKey of 1-diethoxyphosphoryl-N-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]formamide?
The InChIKey is JJQGSJGCLLNCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N4O5P/c1-4-27-29(25,28-5-2)19(24)22-14-9-11-23(12-10-14)18-15-7-6-8-16(26-3)17(15)20-13-21-18/h6-8,13-14H,4-5,9-12H2,1-3H3,(H,22,24).
What are the key properties of 1-diethoxyphosphoryl-N-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]formamide?
1-diethoxyphosphoryl-N-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]formamide has a molecular weight of 422.42 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-N-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]formamide is sourced from PubChem (CID 166527049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).