3-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-ethylphenol

C18H19N3O3 — CID 118112056

IUPAC3-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-ethylphenol
SMILESCCc1c(O)cccc1Nc1ncnc2cc(OC)c(OC)cc12
InChIInChI=1S/C18H19N3O3/c1-4-11-13(6-5-7-15(11)22)21-18-12-8-16(23-2)17(24-3)9-14(12)19-10-20-18/h5-10,22H,4H2,1-3H3,(H,19,20,21)
InChIKeyRCLKEGCBVALZLM-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.66
Rot. Bonds5

About 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-ethylphenol

3-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-ethylphenol (PubChem CID 118112056) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-ethylphenol.

Molecular Properties

Compound Name3-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-ethylphenol
PubChem CID118112056
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-ethylphenol
SMILESCCc1c(O)cccc1Nc1ncnc2cc(OC)c(OC)cc12
InChIInChI=1S/C18H19N3O3/c1-4-11-13(6-5-7-15(11)22)21-18-12-8-16(23-2)17(24-3)9-14(12)19-10-20-18/h5-10,22H,4H2,1-3H3,(H,19,20,21)
InChIKeyRCLKEGCBVALZLM-UHFFFAOYSA-N
XLogP3.66
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Erlotinib
CID 176870
Vandetanib
CID 3081361
Erlotinib Hydrochloride
CID 176871
N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
CID 2051
Tandutinib
CID 3038522
Icotinib
CID 22024915
PD-153035
CID 4705
Cudc-101
CID 24756910
Taprizosin
CID 6433102
2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline
CID 616267
Abanoquil
CID 164089
Whi-P154
CID 3795

Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-ethylphenol?
The IUPAC name of 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-ethylphenol (CID 118112056) is 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-ethylphenol.
What is the SMILES notation for 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-ethylphenol?
The canonical SMILES for 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-ethylphenol is CCc1c(O)cccc1Nc1ncnc2cc(OC)c(OC)cc12.
What is the InChIKey of 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-ethylphenol?
The InChIKey is RCLKEGCBVALZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-4-11-13(6-5-7-15(11)22)21-18-12-8-16(23-2)17(24-3)9-14(12)19-10-20-18/h5-10,22H,4H2,1-3H3,(H,19,20,21).
What are the key properties of 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-ethylphenol?
3-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-ethylphenol has a molecular weight of 325.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-ethylphenol is sourced from PubChem (CID 118112056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).