2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane

C23H40N3O4P — CID 154673008

IUPAC2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane
SMILESCC.CC.COc1cc2ncnc(N3CCC(CCP(OC)OC)CC3)c2cc1OC
InChIInChI=1S/C19H28N3O4P.2C2H6/c1-23-17-11-15-16(12-18(17)24-2)20-13-21-19(15)22-8-5-14(6-9-22)7-10-27(25-3)26-4;2*1-2/h11-14H,5-10H2,1-4H3;2*1-2H3
InChIKeyGDALDVITYTYKMB-UHFFFAOYSA-N
MW453.56 g/mol
LogP5.91
Rot. Bonds8

About 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane

2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane (PubChem CID 154673008) has the molecular formula C23H40N3O4P and a molecular weight of 453.56 g/mol. Its IUPAC name is 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane.

Molecular Properties

Compound Name2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane
PubChem CID154673008
Molecular FormulaC23H40N3O4P
Molecular Weight453.56 g/mol
Exact Mass453.28
IUPAC Name2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane
SMILESCC.CC.COc1cc2ncnc(N3CCC(CCP(OC)OC)CC3)c2cc1OC
InChIInChI=1S/C19H28N3O4P.2C2H6/c1-23-17-11-15-16(12-18(17)24-2)20-13-21-19(15)22-8-5-14(6-9-22)7-10-27(25-3)26-4;2*1-2/h11-14H,5-10H2,1-4H3;2*1-2H3
InChIKeyGDALDVITYTYKMB-UHFFFAOYSA-N
XLogP5.91
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.56
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid;ethane
CID 157041419
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid
CID 155125453
N-(difluoromethylsulfanyl)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanamine
CID 142539742
2-[1-(6-chloro-7-methoxyquinazolin-4-yl)piperidin-4-yl]ethanethiol
CID 157040643
N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-(propan-2-ylamino)phosphoryl]propan-2-amine
CID 138468581
6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
CID 167049154
(2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine
CID 155128602
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea
CID 138468814
6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline
CID 154575992
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane?
The IUPAC name of 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane (CID 154673008) is 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane.
What is the SMILES notation for 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane?
The canonical SMILES for 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane is CC.CC.COc1cc2ncnc(N3CCC(CCP(OC)OC)CC3)c2cc1OC.
What is the InChIKey of 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane?
The InChIKey is GDALDVITYTYKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N3O4P.2C2H6/c1-23-17-11-15-16(12-18(17)24-2)20-13-21-19(15)22-8-5-14(6-9-22)7-10-27(25-3)26-4;2*1-2/h11-14H,5-10H2,1-4H3;2*1-2H3.
What are the key properties of 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane?
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane has a molecular weight of 453.56 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane is sourced from PubChem (CID 154673008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).