N-(4-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine

C22H25ClN4O — CID 67101773

IUPACN-(4-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
SMILESCC(C)N1CCC(Oc2cccc3cnc(Nc4ccc(Cl)cc4)nc23)CC1
InChIInChI=1S/C22H25ClN4O/c1-15(2)27-12-10-19(11-13-27)28-20-5-3-4-16-14-24-22(26-21(16)20)25-18-8-6-17(23)7-9-18/h3-9,14-15,19H,10-13H2,1-2H3,(H,24,25,26)
InChIKeyICSKDAQKNLGQPW-UHFFFAOYSA-N
MW396.92 g/mol
LogP5.28
Rot. Bonds5

About N-(4-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine

N-(4-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine (PubChem CID 67101773) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
PubChem CID67101773
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC NameN-(4-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
SMILESCC(C)N1CCC(Oc2cccc3cnc(Nc4ccc(Cl)cc4)nc23)CC1
InChIInChI=1S/C22H25ClN4O/c1-15(2)27-12-10-19(11-13-27)28-20-5-3-4-16-14-24-22(26-21(16)20)25-18-8-6-17(23)7-9-18/h3-9,14-15,19H,10-13H2,1-2H3,(H,24,25,26)
InChIKeyICSKDAQKNLGQPW-UHFFFAOYSA-N
XLogP5.28
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.92
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine (CID 67101773) is N-(4-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine is CC(C)N1CCC(Oc2cccc3cnc(Nc4ccc(Cl)cc4)nc23)CC1.
What is the InChIKey of N-(4-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine?
The InChIKey is ICSKDAQKNLGQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c1-15(2)27-12-10-19(11-13-27)28-20-5-3-4-16-14-24-22(26-21(16)20)25-18-8-6-17(23)7-9-18/h3-9,14-15,19H,10-13H2,1-2H3,(H,24,25,26).
What are the key properties of N-(4-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine?
N-(4-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine has a molecular weight of 396.92 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine is sourced from PubChem (CID 67101773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).