2-[2-[[2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethanol

C19H20N4O2 — CID 54098100

IUPAC2-[2-[[2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethanol
SMILESOCCOCCNc1nc(C=Cc2cccnc2)nc2ccccc12
InChIInChI=1S/C19H20N4O2/c24-11-13-25-12-10-21-19-16-5-1-2-6-17(16)22-18(23-19)8-7-15-4-3-9-20-14-15/h1-9,14,24H,10-13H2,(H,21,22,23)
InChIKeyMYOQZRBTSVSRLG-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.62
Rot. Bonds8

About 2-[2-[[2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethanol

2-[2-[[2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethanol (PubChem CID 54098100) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[2-[[2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethanol
PubChem CID54098100
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[2-[[2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethanol
SMILESOCCOCCNc1nc(C=Cc2cccnc2)nc2ccccc12
InChIInChI=1S/C19H20N4O2/c24-11-13-25-12-10-21-19-16-5-1-2-6-17(16)22-18(23-19)8-7-15-4-3-9-20-14-15/h1-9,14,24H,10-13H2,(H,21,22,23)
InChIKeyMYOQZRBTSVSRLG-UHFFFAOYSA-N
XLogP2.62
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[6-ethynyl-2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethanol
CID 54153383
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-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine
CID 5350492
2-[2-(quinazolin-4-ylamino)ethoxy]ethanol
CID 7140376
N-ethyl-2-(2-phenylethenyl)quinazolin-4-amine
CID 58017075
2-[2-hydroxyethyl-[3-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]amino]propyl]amino]ethanol
CID 69458152
N-[4-[2-(2-hydroxyethoxy)ethylamino]-2-pyridin-3-ylquinazolin-6-yl]methanesulfonamide
CID 19392358
N-[3-(3-aminopropoxy)propyl]-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]quinazolin-4-amine
CID 68681681
2-[2-[[6-hydroxy-7-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-yl]amino]ethylamino]ethylphosphonic acid
CID 157041437
4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine
CID 80792753
4-N-(2-ethoxyethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80793590

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethanol (CID 54098100) is 2-[2-[[2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethanol is OCCOCCNc1nc(C=Cc2cccnc2)nc2ccccc12.
What is the InChIKey of 2-[2-[[2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethanol?
The InChIKey is MYOQZRBTSVSRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-11-13-25-12-10-21-19-16-5-1-2-6-17(16)22-18(23-19)8-7-15-4-3-9-20-14-15/h1-9,14,24H,10-13H2,(H,21,22,23).
What are the key properties of 2-[2-[[2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethanol?
2-[2-[[2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethanol has a molecular weight of 336.40 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2-pyridin-3-ylethenyl)quinazolin-4-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 54098100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).