N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)quinazolin-4-amine

C20H20ClN3O3 — CID 11973905

IUPACN-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)quinazolin-4-amine
SMILESCOc1ccc(Cl)c(Nc2ncnc3cccc(OC4CCOCC4)c23)c1
InChIInChI=1S/C20H20ClN3O3/c1-25-14-5-6-15(21)17(11-14)24-20-19-16(22-12-23-20)3-2-4-18(19)27-13-7-9-26-10-8-13/h2-6,11-13H,7-10H2,1H3,(H,22,23,24)
InChIKeyWFTOKDIQRMAJJY-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.59
Rot. Bonds5

About N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)quinazolin-4-amine

N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)quinazolin-4-amine (PubChem CID 11973905) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)quinazolin-4-amine
PubChem CID11973905
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)quinazolin-4-amine
SMILESCOc1ccc(Cl)c(Nc2ncnc3cccc(OC4CCOCC4)c23)c1
InChIInChI=1S/C20H20ClN3O3/c1-25-14-5-6-15(21)17(11-14)24-20-19-16(22-12-23-20)3-2-4-18(19)27-13-7-9-26-10-8-13/h2-6,11-13H,7-10H2,1H3,(H,22,23,24)
InChIKeyWFTOKDIQRMAJJY-UHFFFAOYSA-N
XLogP4.59
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)quinazolin-4-amine?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)quinazolin-4-amine (CID 11973905) is N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)quinazolin-4-amine.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)quinazolin-4-amine?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)quinazolin-4-amine is COc1ccc(Cl)c(Nc2ncnc3cccc(OC4CCOCC4)c23)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)quinazolin-4-amine?
The InChIKey is WFTOKDIQRMAJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-25-14-5-6-15(21)17(11-14)24-20-19-16(22-12-23-20)3-2-4-18(19)27-13-7-9-26-10-8-13/h2-6,11-13H,7-10H2,1H3,(H,22,23,24).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)quinazolin-4-amine?
N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)quinazolin-4-amine has a molecular weight of 385.85 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)quinazolin-4-amine is sourced from PubChem (CID 11973905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).