2-[2-[[6-hydroxy-7-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]ethylamino]ethylphosphonic acid

C20H24N5O5P — CID 157041437

IUPAC2-[2-[[6-hydroxy-7-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]ethylamino]ethylphosphonic acid
SMILESCOc1cc2nc(/C=C/c3cccnc3)nc(NCCNCCP(=O)(O)O)c2cc1O
InChIInChI=1S/C20H24N5O5P/c1-30-18-12-16-15(11-17(18)26)20(23-8-7-21-9-10-31(27,28)29)25-19(24-16)5-4-14-3-2-6-22-13-14/h2-6,11-13,21,26H,7-10H2,1H3,(H,23,24,25)(H2,27,28,29)/b5-4+
InChIKeyLDOSIWYSHMPVQG-SNAWJCMRSA-N
MW445.42 g/mol
LogP2.09
Rot. Bonds10

About 2-[2-[[6-hydroxy-7-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]ethylamino]ethylphosphonic acid

2-[2-[[6-hydroxy-7-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]ethylamino]ethylphosphonic acid (PubChem CID 157041437) has the molecular formula C20H24N5O5P and a molecular weight of 445.42 g/mol. Its IUPAC name is 2-[2-[[6-hydroxy-7-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]ethylamino]ethylphosphonic acid.

Molecular Properties

Compound Name2-[2-[[6-hydroxy-7-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]ethylamino]ethylphosphonic acid
PubChem CID157041437
Molecular FormulaC20H24N5O5P
Molecular Weight445.42 g/mol
Exact Mass445.15
IUPAC Name2-[2-[[6-hydroxy-7-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]ethylamino]ethylphosphonic acid
SMILESCOc1cc2nc(/C=C/c3cccnc3)nc(NCCNCCP(=O)(O)O)c2cc1O
InChIInChI=1S/C20H24N5O5P/c1-30-18-12-16-15(11-17(18)26)20(23-8-7-21-9-10-31(27,28)29)25-19(24-16)5-4-14-3-2-6-22-13-14/h2-6,11-13,21,26H,7-10H2,1H3,(H,23,24,25)(H2,27,28,29)/b5-4+
InChIKeyLDOSIWYSHMPVQG-SNAWJCMRSA-N
XLogP2.09
TPSA149.72 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.42
LogP ≤ 52.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2-[[6-hydroxy-7-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]ethylamino]ethylphosphonic acid with MolForge

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Launch Full Analysis

Related Compounds

6-ethynyl-N-(2-methoxyethyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-amine
CID 54208641
6-ethynyl-N-(2-methoxyethyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-amine
CID 19919089
2-[2-[[6-ethynyl-2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethanol
CID 54153383
2-[2-[[2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethanol
CID 54098100
2-[1-[8-methoxy-2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]piperidin-4-yl]ethylphosphonic acid
CID 175185991
2-[4-[7-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]piperazin-1-yl]ethylphosphonic acid
CID 163897033
3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
CID 5388745
4-tert-butyl-8-methoxy-6-methyl-2-[(E)-2-pyridin-3-ylethenyl]quinazoline
CID 163807653
4-N-[6-methoxy-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-yl]cyclohexane-1,4-diamine
CID 69241897
2-[(1S,2R)-2-[[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]guanidine;trihydrochloride
CID 69022726
2-[2-[[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]cyclohexyl]guanidine;trihydrochloride
CID 22667936
5-[[6-hydroxy-7-methoxy-2-[3-(pyridin-3-ylmethylamino)phenyl]quinazolin-4-yl]amino]indazole-1-carboxylic acid
CID 67136739

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-hydroxy-7-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]ethylamino]ethylphosphonic acid?
The IUPAC name of 2-[2-[[6-hydroxy-7-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]ethylamino]ethylphosphonic acid (CID 157041437) is 2-[2-[[6-hydroxy-7-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]ethylamino]ethylphosphonic acid.
What is the SMILES notation for 2-[2-[[6-hydroxy-7-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]ethylamino]ethylphosphonic acid?
The canonical SMILES for 2-[2-[[6-hydroxy-7-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]ethylamino]ethylphosphonic acid is COc1cc2nc(/C=C/c3cccnc3)nc(NCCNCCP(=O)(O)O)c2cc1O.
What is the InChIKey of 2-[2-[[6-hydroxy-7-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]ethylamino]ethylphosphonic acid?
The InChIKey is LDOSIWYSHMPVQG-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H24N5O5P/c1-30-18-12-16-15(11-17(18)26)20(23-8-7-21-9-10-31(27,28)29)25-19(24-16)5-4-14-3-2-6-22-13-14/h2-6,11-13,21,26H,7-10H2,1H3,(H,23,24,25)(H2,27,28,29)/b5-4+.
What are the key properties of 2-[2-[[6-hydroxy-7-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]ethylamino]ethylphosphonic acid?
2-[2-[[6-hydroxy-7-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]ethylamino]ethylphosphonic acid has a molecular weight of 445.42 g/mol, XLogP of 2.09, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-hydroxy-7-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]ethylamino]ethylphosphonic acid is sourced from PubChem (CID 157041437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).