3-[[6-(4-chlorophenyl)quinazolin-4-yl]amino]-2,6-difluorophenol

C20H12ClF2N3O — CID 86766693

IUPAC3-[[6-(4-chlorophenyl)quinazolin-4-yl]amino]-2,6-difluorophenol
SMILESOc1c(F)ccc(Nc2ncnc3ccc(-c4ccc(Cl)cc4)cc23)c1F
InChIInChI=1S/C20H12ClF2N3O/c21-13-4-1-11(2-5-13)12-3-7-16-14(9-12)20(25-10-24-16)26-17-8-6-15(22)19(27)18(17)23/h1-10,27H,(H,24,25,26)
InChIKeyMBPYRSULCBJQEY-UHFFFAOYSA-N
MW383.79 g/mol
LogP5.68
Rot. Bonds3

About 3-[[6-(4-chlorophenyl)quinazolin-4-yl]amino]-2,6-difluorophenol

3-[[6-(4-chlorophenyl)quinazolin-4-yl]amino]-2,6-difluorophenol (PubChem CID 86766693) has the molecular formula C20H12ClF2N3O and a molecular weight of 383.79 g/mol. Its IUPAC name is 3-[[6-(4-chlorophenyl)quinazolin-4-yl]amino]-2,6-difluorophenol.

Molecular Properties

Compound Name3-[[6-(4-chlorophenyl)quinazolin-4-yl]amino]-2,6-difluorophenol
PubChem CID86766693
Molecular FormulaC20H12ClF2N3O
Molecular Weight383.79 g/mol
Exact Mass383.06
IUPAC Name3-[[6-(4-chlorophenyl)quinazolin-4-yl]amino]-2,6-difluorophenol
SMILESOc1c(F)ccc(Nc2ncnc3ccc(-c4ccc(Cl)cc4)cc23)c1F
InChIInChI=1S/C20H12ClF2N3O/c21-13-4-1-11(2-5-13)12-3-7-16-14(9-12)20(25-10-24-16)26-17-8-6-15(22)19(27)18(17)23/h1-10,27H,(H,24,25,26)
InChIKeyMBPYRSULCBJQEY-UHFFFAOYSA-N
XLogP5.68
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.79
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[6-(4-chlorophenyl)quinazolin-4-yl]amino]-2,6-difluorophenol with MolForge

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Related Compounds

N-(3-chloro-2,4-difluorophenyl)-6-nitroquinazolin-4-amine
CID 66608541
N-(2,5-dichlorophenyl)-6-fluoroquinazolin-4-amine
CID 110434593
N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 86586464
4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol
CID 21002450
4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine
CID 107634128
N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylamino)phenyl]quinazolin-4-amine;formaldehyde
CID 142344379
N,6-diphenylquinazolin-4-amine
CID 86766666
4-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2,3-difluorophenol
CID 166539277
4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine
CID 65336921
6-chloro-N-(2,3-difluorophenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 166539805
N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine
CID 130227832
N-(3-chlorophenyl)-6-(6-chloro-3-pyridinyl)quinazolin-4-amine
CID 87720726

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(4-chlorophenyl)quinazolin-4-yl]amino]-2,6-difluorophenol?
The IUPAC name of 3-[[6-(4-chlorophenyl)quinazolin-4-yl]amino]-2,6-difluorophenol (CID 86766693) is 3-[[6-(4-chlorophenyl)quinazolin-4-yl]amino]-2,6-difluorophenol.
What is the SMILES notation for 3-[[6-(4-chlorophenyl)quinazolin-4-yl]amino]-2,6-difluorophenol?
The canonical SMILES for 3-[[6-(4-chlorophenyl)quinazolin-4-yl]amino]-2,6-difluorophenol is Oc1c(F)ccc(Nc2ncnc3ccc(-c4ccc(Cl)cc4)cc23)c1F.
What is the InChIKey of 3-[[6-(4-chlorophenyl)quinazolin-4-yl]amino]-2,6-difluorophenol?
The InChIKey is MBPYRSULCBJQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF2N3O/c21-13-4-1-11(2-5-13)12-3-7-16-14(9-12)20(25-10-24-16)26-17-8-6-15(22)19(27)18(17)23/h1-10,27H,(H,24,25,26).
What are the key properties of 3-[[6-(4-chlorophenyl)quinazolin-4-yl]amino]-2,6-difluorophenol?
3-[[6-(4-chlorophenyl)quinazolin-4-yl]amino]-2,6-difluorophenol has a molecular weight of 383.79 g/mol, XLogP of 5.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(4-chlorophenyl)quinazolin-4-yl]amino]-2,6-difluorophenol is sourced from PubChem (CID 86766693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).