(E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol

C23H20N4O2 — CID 22484233

IUPAC(E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol
SMILESCc1cc(Nc2ncnc3ccc(/C=C/CO)cc23)ccc1Oc1cccnc1
InChIInChI=1S/C23H20N4O2/c1-16-12-18(7-9-22(16)29-19-5-2-10-24-14-19)27-23-20-13-17(4-3-11-28)6-8-21(20)25-15-26-23/h2-10,12-15,28H,11H2,1H3,(H,25,26,27)/b4-3+
InChIKeyWGHUJVCIXUSOLP-ONEGZZNKSA-N
MW384.44 g/mol
LogP4.87
Rot. Bonds6

About (E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol

(E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol (PubChem CID 22484233) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is (E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol
PubChem CID22484233
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name(E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol
SMILESCc1cc(Nc2ncnc3ccc(/C=C/CO)cc23)ccc1Oc1cccnc1
InChIInChI=1S/C23H20N4O2/c1-16-12-18(7-9-22(16)29-19-5-2-10-24-14-19)27-23-20-13-17(4-3-11-28)6-8-21(20)25-15-26-23/h2-10,12-15,28H,11H2,1H3,(H,25,26,27)/b4-3+
InChIKeyWGHUJVCIXUSOLP-ONEGZZNKSA-N
XLogP4.87
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
CID 22484234
3-[4-(4-phenoxyanilino)quinazolin-6-yl]prop-2-en-1-ol
CID 69485575
2-methyl-4-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]but-3-yn-2-ol
CID 22484359
ethyl N-[(Z)-3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]prop-2-enyl]carbamate
CID 90656920
2-ethoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]prop-2-enyl]acetamide
CID 69115903
2-methoxy-N-[(E)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]ethenyl]acetamide
CID 102251503
6-methanehydrazonoyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine
CID 67424710
6-[3-(2-methoxyethoxy)prop-1-ynyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine
CID 22484384
2-ethoxy-N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]acetamide
CID 22484292
N-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine
CID 10160134
6-iodo-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;hydrochloride
CID 66623307
2-methoxy-N-[3-[4-[3-methyl-4-(6-methyl-1-oxidopyridin-1-ium-3-yl)oxyanilino]quinazolin-6-yl]prop-2-enyl]acetamide
CID 69258107

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol (CID 22484233) is (E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol is Cc1cc(Nc2ncnc3ccc(/C=C/CO)cc23)ccc1Oc1cccnc1.
What is the InChIKey of (E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol?
The InChIKey is WGHUJVCIXUSOLP-ONEGZZNKSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-16-12-18(7-9-22(16)29-19-5-2-10-24-14-19)27-23-20-13-17(4-3-11-28)6-8-21(20)25-15-26-23/h2-10,12-15,28H,11H2,1H3,(H,25,26,27)/b4-3+.
What are the key properties of (E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol?
(E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol has a molecular weight of 384.44 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol is sourced from PubChem (CID 22484233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).