6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine

C26H27ClN4O — CID 142474993

IUPAC6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine
SMILESCCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4Cl)ccc3n2)cc1
InChIInChI=1S/C26H27ClN4O/c1-3-31(4-2)15-16-32-22-12-10-21(11-13-22)29-26-28-18-20-17-19(9-14-25(20)30-26)23-7-5-6-8-24(23)27/h5-14,17-18H,3-4,15-16H2,1-2H3,(H,28,29,30)
InChIKeyQDPCSLVQTXXDET-UHFFFAOYSA-N
MW446.98 g/mol
LogP6.41
Rot. Bonds9

About 6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine

6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine (PubChem CID 142474993) has the molecular formula C26H27ClN4O and a molecular weight of 446.98 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine
PubChem CID142474993
Molecular FormulaC26H27ClN4O
Molecular Weight446.98 g/mol
Exact Mass446.19
IUPAC Name6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine
SMILESCCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4Cl)ccc3n2)cc1
InChIInChI=1S/C26H27ClN4O/c1-3-31(4-2)15-16-32-22-12-10-21(11-13-22)29-26-28-18-20-17-19(9-14-25(20)30-26)23-7-5-6-8-24(23)27/h5-14,17-18H,3-4,15-16H2,1-2H3,(H,28,29,30)
InChIKeyQDPCSLVQTXXDET-UHFFFAOYSA-N
XLogP6.41
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.98
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine?
The IUPAC name of 6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine (CID 142474993) is 6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine.
What is the SMILES notation for 6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine?
The canonical SMILES for 6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine is CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4Cl)ccc3n2)cc1.
What is the InChIKey of 6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine?
The InChIKey is QDPCSLVQTXXDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O/c1-3-31(4-2)15-16-32-22-12-10-21(11-13-22)29-26-28-18-20-17-19(9-14-25(20)30-26)23-7-5-6-8-24(23)27/h5-14,17-18H,3-4,15-16H2,1-2H3,(H,28,29,30).
What are the key properties of 6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine?
6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine has a molecular weight of 446.98 g/mol, XLogP of 6.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]quinazolin-2-amine is sourced from PubChem (CID 142474993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).