3-[4-(4-phenoxyanilino)quinazolin-6-yl]prop-2-en-1-ol

C23H19N3O2 — CID 69485575

IUPAC3-[4-(4-phenoxyanilino)quinazolin-6-yl]prop-2-en-1-ol
SMILESOCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1
InChIInChI=1S/C23H19N3O2/c27-14-4-5-17-8-13-22-21(15-17)23(25-16-24-22)26-18-9-11-20(12-10-18)28-19-6-2-1-3-7-19/h1-13,15-16,27H,14H2,(H,24,25,26)
InChIKeyRXKJKNMCZWCQMO-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.17
Rot. Bonds6

About 3-[4-(4-phenoxyanilino)quinazolin-6-yl]prop-2-en-1-ol

3-[4-(4-phenoxyanilino)quinazolin-6-yl]prop-2-en-1-ol (PubChem CID 69485575) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-[4-(4-phenoxyanilino)quinazolin-6-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name3-[4-(4-phenoxyanilino)quinazolin-6-yl]prop-2-en-1-ol
PubChem CID69485575
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name3-[4-(4-phenoxyanilino)quinazolin-6-yl]prop-2-en-1-ol
SMILESOCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1
InChIInChI=1S/C23H19N3O2/c27-14-4-5-17-8-13-22-21(15-17)23(25-16-24-22)26-18-9-11-20(12-10-18)28-19-6-2-1-3-7-19/h1-13,15-16,27H,14H2,(H,24,25,26)
InChIKeyRXKJKNMCZWCQMO-UHFFFAOYSA-N
XLogP5.17
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol
CID 22484233
6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 54010523
6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine
CID 53482314
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
6-methanehydrazonoyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine
CID 67424710
6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
CID 22484234
6-(2-chloroethoxy)-N-[4-[(E)-prop-1-enyl]phenyl]quinazolin-4-amine
CID 141410555
4-[2-[4-(4-phenoxyanilino)quinazolin-6-yl]ethynyl]oxan-4-ol;hydrochloride
CID 18616600
7-methyl-6-nitro-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 167668769
[4-(4-phenoxyanilino)quinazolin-6-yl] 4-(3-morpholin-4-ylpropylsulfanyl)but-2-enoate
CID 54466362
7-[4-(dimethylamino)butoxy]-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 54254112
6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 57260574

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-phenoxyanilino)quinazolin-6-yl]prop-2-en-1-ol?
The IUPAC name of 3-[4-(4-phenoxyanilino)quinazolin-6-yl]prop-2-en-1-ol (CID 69485575) is 3-[4-(4-phenoxyanilino)quinazolin-6-yl]prop-2-en-1-ol.
What is the SMILES notation for 3-[4-(4-phenoxyanilino)quinazolin-6-yl]prop-2-en-1-ol?
The canonical SMILES for 3-[4-(4-phenoxyanilino)quinazolin-6-yl]prop-2-en-1-ol is OCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1.
What is the InChIKey of 3-[4-(4-phenoxyanilino)quinazolin-6-yl]prop-2-en-1-ol?
The InChIKey is RXKJKNMCZWCQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-14-4-5-17-8-13-22-21(15-17)23(25-16-24-22)26-18-9-11-20(12-10-18)28-19-6-2-1-3-7-19/h1-13,15-16,27H,14H2,(H,24,25,26).
What are the key properties of 3-[4-(4-phenoxyanilino)quinazolin-6-yl]prop-2-en-1-ol?
3-[4-(4-phenoxyanilino)quinazolin-6-yl]prop-2-en-1-ol has a molecular weight of 369.42 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-phenoxyanilino)quinazolin-6-yl]prop-2-en-1-ol is sourced from PubChem (CID 69485575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).