N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-2-amine

C22H24ClFN4O2 — CID 68746368

IUPACN-(4-chloro-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-2-amine
SMILESCOc1cc2cnc(Nc3ccc(Cl)cc3F)nc2cc1OC(C)C1CCNCC1
InChIInChI=1S/C22H24ClFN4O2/c1-13(14-5-7-25-8-6-14)30-21-11-19-15(9-20(21)29-2)12-26-22(28-19)27-18-4-3-16(23)10-17(18)24/h3-4,9-14,25H,5-8H2,1-2H3,(H,26,27,28)
InChIKeyKMTOZDCCHMOBJS-UHFFFAOYSA-N
MW430.91 g/mol
LogP4.94
Rot. Bonds6

About N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-2-amine

N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-2-amine (PubChem CID 68746368) has the molecular formula C22H24ClFN4O2 and a molecular weight of 430.91 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-2-amine
PubChem CID68746368
Molecular FormulaC22H24ClFN4O2
Molecular Weight430.91 g/mol
Exact Mass430.16
IUPAC NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-2-amine
SMILESCOc1cc2cnc(Nc3ccc(Cl)cc3F)nc2cc1OC(C)C1CCNCC1
InChIInChI=1S/C22H24ClFN4O2/c1-13(14-5-7-25-8-6-14)30-21-11-19-15(9-20(21)29-2)12-26-22(28-19)27-18-4-3-16(23)10-17(18)24/h3-4,9-14,25H,5-8H2,1-2H3,(H,26,27,28)
InChIKeyKMTOZDCCHMOBJS-UHFFFAOYSA-N
XLogP4.94
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-2-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-2-amine (CID 68746368) is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-2-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-2-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-2-amine is COc1cc2cnc(Nc3ccc(Cl)cc3F)nc2cc1OC(C)C1CCNCC1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-2-amine?
The InChIKey is KMTOZDCCHMOBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O2/c1-13(14-5-7-25-8-6-14)30-21-11-19-15(9-20(21)29-2)12-26-22(28-19)27-18-4-3-16(23)10-17(18)24/h3-4,9-14,25H,5-8H2,1-2H3,(H,26,27,28).
What are the key properties of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-2-amine?
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-2-amine has a molecular weight of 430.91 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-2-amine is sourced from PubChem (CID 68746368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).