4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazolin-4-yl]phenol

C22H26ClN3O — CID 54757595

IUPAC4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazolin-4-yl]phenol
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccc(O)cc2)N1CCN1CCCCC1
InChIInChI=1S/C22H26ClN3O/c1-16-24-21-10-7-18(23)15-20(21)22(17-5-8-19(27)9-6-17)26(16)14-13-25-11-3-2-4-12-25/h5-10,15,22,27H,2-4,11-14H2,1H3
InChIKeyGWFSDJILIFKUIA-UHFFFAOYSA-N
MW383.92 g/mol
LogP4.99
Rot. Bonds4

About 4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazolin-4-yl]phenol

4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazolin-4-yl]phenol (PubChem CID 54757595) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is 4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazolin-4-yl]phenol.

Molecular Properties

Compound Name4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazolin-4-yl]phenol
PubChem CID54757595
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC Name4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazolin-4-yl]phenol
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccc(O)cc2)N1CCN1CCCCC1
InChIInChI=1S/C22H26ClN3O/c1-16-24-21-10-7-18(23)15-20(21)22(17-5-8-19(27)9-6-17)26(16)14-13-25-11-3-2-4-12-25/h5-10,15,22,27H,2-4,11-14H2,1H3
InChIKeyGWFSDJILIFKUIA-UHFFFAOYSA-N
XLogP4.99
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazolin-4-yl]phenol?
The IUPAC name of 4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazolin-4-yl]phenol (CID 54757595) is 4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazolin-4-yl]phenol.
What is the SMILES notation for 4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazolin-4-yl]phenol?
The canonical SMILES for 4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazolin-4-yl]phenol is CC1=Nc2ccc(Cl)cc2C(c2ccc(O)cc2)N1CCN1CCCCC1.
What is the InChIKey of 4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazolin-4-yl]phenol?
The InChIKey is GWFSDJILIFKUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O/c1-16-24-21-10-7-18(23)15-20(21)22(17-5-8-19(27)9-6-17)26(16)14-13-25-11-3-2-4-12-25/h5-10,15,22,27H,2-4,11-14H2,1H3.
What are the key properties of 4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazolin-4-yl]phenol?
4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazolin-4-yl]phenol has a molecular weight of 383.92 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazolin-4-yl]phenol is sourced from PubChem (CID 54757595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).