N-(3-chloro-4-pyridin-3-yloxyphenyl)-5-fluoroquinazolin-4-amine

C19H12ClFN4O — CID 69028468

IUPACN-(3-chloro-4-pyridin-3-yloxyphenyl)-5-fluoroquinazolin-4-amine
SMILESFc1cccc2ncnc(Nc3ccc(Oc4cccnc4)c(Cl)c3)c12
InChIInChI=1S/C19H12ClFN4O/c20-14-9-12(6-7-17(14)26-13-3-2-8-22-10-13)25-19-18-15(21)4-1-5-16(18)23-11-24-19/h1-11H,(H,23,24,25)
InChIKeyPKWKUNGUCWXLEG-UHFFFAOYSA-N
MW366.78 g/mol
LogP5.35
Rot. Bonds4

About N-(3-chloro-4-pyridin-3-yloxyphenyl)-5-fluoroquinazolin-4-amine

N-(3-chloro-4-pyridin-3-yloxyphenyl)-5-fluoroquinazolin-4-amine (PubChem CID 69028468) has the molecular formula C19H12ClFN4O and a molecular weight of 366.78 g/mol. Its IUPAC name is N-(3-chloro-4-pyridin-3-yloxyphenyl)-5-fluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-pyridin-3-yloxyphenyl)-5-fluoroquinazolin-4-amine
PubChem CID69028468
Molecular FormulaC19H12ClFN4O
Molecular Weight366.78 g/mol
Exact Mass366.07
IUPAC NameN-(3-chloro-4-pyridin-3-yloxyphenyl)-5-fluoroquinazolin-4-amine
SMILESFc1cccc2ncnc(Nc3ccc(Oc4cccnc4)c(Cl)c3)c12
InChIInChI=1S/C19H12ClFN4O/c20-14-9-12(6-7-17(14)26-13-3-2-8-22-10-13)25-19-18-15(21)4-1-5-16(18)23-11-24-19/h1-11H,(H,23,24,25)
InChIKeyPKWKUNGUCWXLEG-UHFFFAOYSA-N
XLogP5.35
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.78
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-fluoroquinazolin-4-amine
CID 91758367
5-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine
CID 141103872
2-[4-(3-fluoro-4-pyridin-3-yloxyanilino)quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one
CID 69492197
N-[3-chloro-4-(3-chlorophenoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851430
6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145485
N-[3-chloro-4-[3-(trifluoromethoxy)phenoxy]phenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride
CID 56849561
1-[(2S)-2-[[4-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxymethyl]pyrrolidin-1-yl]-2-hydroxyethanone
CID 69025146
3-chloro-4-pyridin-3-yloxyaniline;dihydrochloride
CID 45075256
N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
CID 68883097
N-[2-[4-[3-chloro-4-[(2-fluorophenyl)methoxy]anilino]quinazolin-5-yl]oxypropyl]-N-methylacetamide
CID 11156454
N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
N-[3-chloro-4-(1H-indazol-6-yloxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 141211598

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyridin-3-yloxyphenyl)-5-fluoroquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-pyridin-3-yloxyphenyl)-5-fluoroquinazolin-4-amine (CID 69028468) is N-(3-chloro-4-pyridin-3-yloxyphenyl)-5-fluoroquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-pyridin-3-yloxyphenyl)-5-fluoroquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-pyridin-3-yloxyphenyl)-5-fluoroquinazolin-4-amine is Fc1cccc2ncnc(Nc3ccc(Oc4cccnc4)c(Cl)c3)c12.
What is the InChIKey of N-(3-chloro-4-pyridin-3-yloxyphenyl)-5-fluoroquinazolin-4-amine?
The InChIKey is PKWKUNGUCWXLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O/c20-14-9-12(6-7-17(14)26-13-3-2-8-22-10-13)25-19-18-15(21)4-1-5-16(18)23-11-24-19/h1-11H,(H,23,24,25).
What are the key properties of N-(3-chloro-4-pyridin-3-yloxyphenyl)-5-fluoroquinazolin-4-amine?
N-(3-chloro-4-pyridin-3-yloxyphenyl)-5-fluoroquinazolin-4-amine has a molecular weight of 366.78 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyridin-3-yloxyphenyl)-5-fluoroquinazolin-4-amine is sourced from PubChem (CID 69028468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).