6-chloro-4-[4-methoxy-3-(2-phenylethoxy)phenyl]quinazolin-2-amine

C23H20ClN3O2 — CID 15948809

IUPAC6-chloro-4-[4-methoxy-3-(2-phenylethoxy)phenyl]quinazolin-2-amine
SMILESCOc1ccc(-c2nc(N)nc3ccc(Cl)cc23)cc1OCCc1ccccc1
InChIInChI=1S/C23H20ClN3O2/c1-28-20-10-7-16(13-21(20)29-12-11-15-5-3-2-4-6-15)22-18-14-17(24)8-9-19(18)26-23(25)27-22/h2-10,13-14H,11-12H2,1H3,(H2,25,26,27)
InChIKeyFTKFDULOEHJFIY-UHFFFAOYSA-N
MW405.89 g/mol
LogP5.16
Rot. Bonds6

About 6-chloro-4-[4-methoxy-3-(2-phenylethoxy)phenyl]quinazolin-2-amine

6-chloro-4-[4-methoxy-3-(2-phenylethoxy)phenyl]quinazolin-2-amine (PubChem CID 15948809) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 6-chloro-4-[4-methoxy-3-(2-phenylethoxy)phenyl]quinazolin-2-amine.

Molecular Properties

Compound Name6-chloro-4-[4-methoxy-3-(2-phenylethoxy)phenyl]quinazolin-2-amine
PubChem CID15948809
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC Name6-chloro-4-[4-methoxy-3-(2-phenylethoxy)phenyl]quinazolin-2-amine
SMILESCOc1ccc(-c2nc(N)nc3ccc(Cl)cc23)cc1OCCc1ccccc1
InChIInChI=1S/C23H20ClN3O2/c1-28-20-10-7-16(13-21(20)29-12-11-15-5-3-2-4-6-15)22-18-14-17(24)8-9-19(18)26-23(25)27-22/h2-10,13-14H,11-12H2,1H3,(H2,25,26,27)
InChIKeyFTKFDULOEHJFIY-UHFFFAOYSA-N
XLogP5.16
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.89
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[4-methoxy-3-(2-phenylethoxy)phenyl]quinazolin-2-amine?
The IUPAC name of 6-chloro-4-[4-methoxy-3-(2-phenylethoxy)phenyl]quinazolin-2-amine (CID 15948809) is 6-chloro-4-[4-methoxy-3-(2-phenylethoxy)phenyl]quinazolin-2-amine.
What is the SMILES notation for 6-chloro-4-[4-methoxy-3-(2-phenylethoxy)phenyl]quinazolin-2-amine?
The canonical SMILES for 6-chloro-4-[4-methoxy-3-(2-phenylethoxy)phenyl]quinazolin-2-amine is COc1ccc(-c2nc(N)nc3ccc(Cl)cc23)cc1OCCc1ccccc1.
What is the InChIKey of 6-chloro-4-[4-methoxy-3-(2-phenylethoxy)phenyl]quinazolin-2-amine?
The InChIKey is FTKFDULOEHJFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-28-20-10-7-16(13-21(20)29-12-11-15-5-3-2-4-6-15)22-18-14-17(24)8-9-19(18)26-23(25)27-22/h2-10,13-14H,11-12H2,1H3,(H2,25,26,27).
What are the key properties of 6-chloro-4-[4-methoxy-3-(2-phenylethoxy)phenyl]quinazolin-2-amine?
6-chloro-4-[4-methoxy-3-(2-phenylethoxy)phenyl]quinazolin-2-amine has a molecular weight of 405.89 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[4-methoxy-3-(2-phenylethoxy)phenyl]quinazolin-2-amine is sourced from PubChem (CID 15948809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).