2-(3,4-dichlorophenoxy)-6-fluoro-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine

C20H14Cl2FN3O2 — CID 127036504

IUPAC2-(3,4-dichlorophenoxy)-6-fluoro-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine
SMILESCc1ccoc1CNc1nc(Oc2ccc(Cl)c(Cl)c2)nc2ccc(F)cc12
InChIInChI=1S/C20H14Cl2FN3O2/c1-11-6-7-27-18(11)10-24-19-14-8-12(23)2-5-17(14)25-20(26-19)28-13-3-4-15(21)16(22)9-13/h2-9H,10H2,1H3,(H,24,25,26)
InChIKeyQMOCOXXOWYGXEC-UHFFFAOYSA-N
MW418.26 g/mol
LogP6.38
Rot. Bonds5

About 2-(3,4-dichlorophenoxy)-6-fluoro-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine

2-(3,4-dichlorophenoxy)-6-fluoro-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine (PubChem CID 127036504) has the molecular formula C20H14Cl2FN3O2 and a molecular weight of 418.26 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-6-fluoro-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-6-fluoro-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine
PubChem CID127036504
Molecular FormulaC20H14Cl2FN3O2
Molecular Weight418.26 g/mol
Exact Mass417.04
IUPAC Name2-(3,4-dichlorophenoxy)-6-fluoro-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine
SMILESCc1ccoc1CNc1nc(Oc2ccc(Cl)c(Cl)c2)nc2ccc(F)cc12
InChIInChI=1S/C20H14Cl2FN3O2/c1-11-6-7-27-18(11)10-24-19-14-8-12(23)2-5-17(14)25-20(26-19)28-13-3-4-15(21)16(22)9-13/h2-9H,10H2,1H3,(H,24,25,26)
InChIKeyQMOCOXXOWYGXEC-UHFFFAOYSA-N
XLogP6.38
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.26
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dichlorophenoxy)-6-fluoro-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine with MolForge

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Related Compounds

2-(3-chlorophenoxy)-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine
CID 127036502
2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115977103
4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115749342
4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113242989
2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115777075
2-(aminomethyl)-6-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 68516812
3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113242993
6-fluoro-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine
CID 115749492
2-chloro-N-(furan-2-ylmethyl)-6-methoxyquinazolin-4-amine
CID 171562066
3,5-dichloro-N-ethyl-6-(3-fluoro-4-methylphenoxy)pyridin-2-amine
CID 107171826
6-fluoro-4-(4-methoxyphenyl)-3-methylquinoline
CID 122371652
2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115877164

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-6-fluoro-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine?
The IUPAC name of 2-(3,4-dichlorophenoxy)-6-fluoro-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine (CID 127036504) is 2-(3,4-dichlorophenoxy)-6-fluoro-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-6-fluoro-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-6-fluoro-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine is Cc1ccoc1CNc1nc(Oc2ccc(Cl)c(Cl)c2)nc2ccc(F)cc12.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-6-fluoro-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine?
The InChIKey is QMOCOXXOWYGXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2FN3O2/c1-11-6-7-27-18(11)10-24-19-14-8-12(23)2-5-17(14)25-20(26-19)28-13-3-4-15(21)16(22)9-13/h2-9H,10H2,1H3,(H,24,25,26).
What are the key properties of 2-(3,4-dichlorophenoxy)-6-fluoro-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine?
2-(3,4-dichlorophenoxy)-6-fluoro-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine has a molecular weight of 418.26 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-6-fluoro-N-[(3-methylfuran-2-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 127036504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).