N-(3-chloro-4-fluorophenyl)-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine

C20H20ClFN4O — CID 20819732

IUPACN-(3-chloro-4-fluorophenyl)-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
SMILESCN1CCC(Oc2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)CC1
InChIInChI=1S/C20H20ClFN4O/c1-26-8-6-14(7-9-26)27-15-3-5-19-16(11-15)20(24-12-23-19)25-13-2-4-18(22)17(21)10-13/h2-5,10-12,14H,6-9H2,1H3,(H,23,24,25)
InChIKeyPXRHDXPNAPQOOF-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.64
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine (PubChem CID 20819732) has the molecular formula C20H20ClFN4O and a molecular weight of 386.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
PubChem CID20819732
Molecular FormulaC20H20ClFN4O
Molecular Weight386.86 g/mol
Exact Mass386.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
SMILESCN1CCC(Oc2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)CC1
InChIInChI=1S/C20H20ClFN4O/c1-26-8-6-14(7-9-26)27-15-3-5-19-16(11-15)20(24-12-23-19)25-13-2-4-18(22)17(21)10-13/h2-5,10-12,14H,6-9H2,1H3,(H,23,24,25)
InChIKeyPXRHDXPNAPQOOF-UHFFFAOYSA-N
XLogP4.64
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine (CID 20819732) is N-(3-chloro-4-fluorophenyl)-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine is CN1CCC(Oc2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
The InChIKey is PXRHDXPNAPQOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O/c1-26-8-6-14(7-9-26)27-15-3-5-19-16(11-15)20(24-12-23-19)25-13-2-4-18(22)17(21)10-13/h2-5,10-12,14H,6-9H2,1H3,(H,23,24,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine has a molecular weight of 386.86 g/mol, XLogP of 4.64, 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-fluorophenyl)-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine is sourced from PubChem (CID 20819732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).