N-(3-chloro-4-morpholin-4-ylphenyl)-8-piperidin-4-yloxyquinazolin-2-amine

C23H26ClN5O2 — CID 67101595

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-8-piperidin-4-yloxyquinazolin-2-amine
SMILESClc1cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)ccc1N1CCOCC1
InChIInChI=1S/C23H26ClN5O2/c24-19-14-17(4-5-20(19)29-10-12-30-13-11-29)27-23-26-15-16-2-1-3-21(22(16)28-23)31-18-6-8-25-9-7-18/h1-5,14-15,18,25H,6-13H2,(H,26,27,28)
InChIKeyJZUOLALNNVGTRK-UHFFFAOYSA-N
MW439.95 g/mol
LogP3.99
Rot. Bonds5

About N-(3-chloro-4-morpholin-4-ylphenyl)-8-piperidin-4-yloxyquinazolin-2-amine

N-(3-chloro-4-morpholin-4-ylphenyl)-8-piperidin-4-yloxyquinazolin-2-amine (PubChem CID 67101595) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-8-piperidin-4-yloxyquinazolin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-8-piperidin-4-yloxyquinazolin-2-amine
PubChem CID67101595
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-8-piperidin-4-yloxyquinazolin-2-amine
SMILESClc1cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)ccc1N1CCOCC1
InChIInChI=1S/C23H26ClN5O2/c24-19-14-17(4-5-20(19)29-10-12-30-13-11-29)27-23-26-15-16-2-1-3-21(22(16)28-23)31-18-6-8-25-9-7-18/h1-5,14-15,18,25H,6-13H2,(H,26,27,28)
InChIKeyJZUOLALNNVGTRK-UHFFFAOYSA-N
XLogP3.99
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-8-piperidin-4-yloxyquinazolin-2-amine?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-8-piperidin-4-yloxyquinazolin-2-amine (CID 67101595) is N-(3-chloro-4-morpholin-4-ylphenyl)-8-piperidin-4-yloxyquinazolin-2-amine.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-8-piperidin-4-yloxyquinazolin-2-amine?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-8-piperidin-4-yloxyquinazolin-2-amine is Clc1cc(Nc2ncc3cccc(OC4CCNCC4)c3n2)ccc1N1CCOCC1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-8-piperidin-4-yloxyquinazolin-2-amine?
The InChIKey is JZUOLALNNVGTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2/c24-19-14-17(4-5-20(19)29-10-12-30-13-11-29)27-23-26-15-16-2-1-3-21(22(16)28-23)31-18-6-8-25-9-7-18/h1-5,14-15,18,25H,6-13H2,(H,26,27,28).
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-8-piperidin-4-yloxyquinazolin-2-amine?
N-(3-chloro-4-morpholin-4-ylphenyl)-8-piperidin-4-yloxyquinazolin-2-amine has a molecular weight of 439.95 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-morpholin-4-ylphenyl)-8-piperidin-4-yloxyquinazolin-2-amine is sourced from PubChem (CID 67101595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).