N-(3-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine

C22H25ClN4O — CID 67101820

IUPACN-(3-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
SMILESCC(C)N1CCC(Oc2cccc3cnc(Nc4cccc(Cl)c4)nc23)CC1
InChIInChI=1S/C22H25ClN4O/c1-15(2)27-11-9-19(10-12-27)28-20-8-3-5-16-14-24-22(26-21(16)20)25-18-7-4-6-17(23)13-18/h3-8,13-15,19H,9-12H2,1-2H3,(H,24,25,26)
InChIKeyPBTZARXMKHYSLX-UHFFFAOYSA-N
MW396.92 g/mol
LogP5.28
Rot. Bonds5

About N-(3-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine

N-(3-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine (PubChem CID 67101820) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
PubChem CID67101820
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC NameN-(3-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
SMILESCC(C)N1CCC(Oc2cccc3cnc(Nc4cccc(Cl)c4)nc23)CC1
InChIInChI=1S/C22H25ClN4O/c1-15(2)27-11-9-19(10-12-27)28-20-8-3-5-16-14-24-22(26-21(16)20)25-18-7-4-6-17(23)13-18/h3-8,13-15,19H,9-12H2,1-2H3,(H,24,25,26)
InChIKeyPBTZARXMKHYSLX-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

Analyze N-(3-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 123631
CID 123631
CID 57600071
CID 57600071
CID 11751635
CID 11751635
CID 44416610
CID 44416610
CID 19595108
CID 19595108
CID 23628252
CID 23628252
CID 9981727
CID 9981727
CID 10003444
CID 10003444
CID 10022071
CID 10022071
CID 10067754
CID 10067754
CID 10072913
CID 10072913
CID 10159951
CID 10159951

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine (CID 67101820) is N-(3-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine is CC(C)N1CCC(Oc2cccc3cnc(Nc4cccc(Cl)c4)nc23)CC1.
What is the InChIKey of N-(3-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine?
The InChIKey is PBTZARXMKHYSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c1-15(2)27-11-9-19(10-12-27)28-20-8-3-5-16-14-24-22(26-21(16)20)25-18-7-4-6-17(23)13-18/h3-8,13-15,19H,9-12H2,1-2H3,(H,24,25,26).
What are the key properties of N-(3-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine?
N-(3-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-(3-chlorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine is sourced from PubChem (CID 67101820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).