6-(4-aminocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)quinazolin-4-amine

C20H20ClFN4O — CID 20819702

IUPAC6-(4-aminocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
SMILESNC1CCC(Oc2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)CC1
InChIInChI=1S/C20H20ClFN4O/c21-17-9-13(3-7-18(17)22)26-20-16-10-15(6-8-19(16)24-11-25-20)27-14-4-1-12(23)2-5-14/h3,6-12,14H,1-2,4-5,23H2,(H,24,25,26)
InChIKeyHRQNGZNEMIEOKO-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.81
Rot. Bonds4

About 6-(4-aminocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)quinazolin-4-amine

6-(4-aminocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)quinazolin-4-amine (PubChem CID 20819702) has the molecular formula C20H20ClFN4O and a molecular weight of 386.86 g/mol. Its IUPAC name is 6-(4-aminocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(4-aminocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
PubChem CID20819702
Molecular FormulaC20H20ClFN4O
Molecular Weight386.86 g/mol
Exact Mass386.13
IUPAC Name6-(4-aminocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
SMILESNC1CCC(Oc2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)CC1
InChIInChI=1S/C20H20ClFN4O/c21-17-9-13(3-7-18(17)22)26-20-16-10-15(6-8-19(16)24-11-25-20)27-14-4-1-12(23)2-5-14/h3,6-12,14H,1-2,4-5,23H2,(H,24,25,26)
InChIKeyHRQNGZNEMIEOKO-UHFFFAOYSA-N
XLogP4.81
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)quinazolin-4-amine?
The IUPAC name of 6-(4-aminocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)quinazolin-4-amine (CID 20819702) is 6-(4-aminocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)quinazolin-4-amine.
What is the SMILES notation for 6-(4-aminocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)quinazolin-4-amine?
The canonical SMILES for 6-(4-aminocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)quinazolin-4-amine is NC1CCC(Oc2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)CC1.
What is the InChIKey of 6-(4-aminocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)quinazolin-4-amine?
The InChIKey is HRQNGZNEMIEOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O/c21-17-9-13(3-7-18(17)22)26-20-16-10-15(6-8-19(16)24-11-25-20)27-14-4-1-12(23)2-5-14/h3,6-12,14H,1-2,4-5,23H2,(H,24,25,26).
What are the key properties of 6-(4-aminocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)quinazolin-4-amine?
6-(4-aminocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)quinazolin-4-amine has a molecular weight of 386.86 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminocyclohexyl)oxy-N-(3-chloro-4-fluorophenyl)quinazolin-4-amine is sourced from PubChem (CID 20819702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).