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

C26H33N5O2 — CID 67101585

IUPACN-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
SMILESCC(C)N1CCC(Oc2cccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc23)CC1
InChIInChI=1S/C26H33N5O2/c1-19(2)30-12-10-23(11-13-30)33-24-5-3-4-20-18-27-26(29-25(20)24)28-21-6-8-22(9-7-21)31-14-16-32-17-15-31/h3-9,18-19,23H,10-17H2,1-2H3,(H,27,28,29)
InChIKeyWEGZCUJHBWGZNL-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.46
Rot. Bonds6

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

N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine (PubChem CID 67101585) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
PubChem CID67101585
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC NameN-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
SMILESCC(C)N1CCC(Oc2cccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc23)CC1
InChIInChI=1S/C26H33N5O2/c1-19(2)30-12-10-23(11-13-30)33-24-5-3-4-20-18-27-26(29-25(20)24)28-21-6-8-22(9-7-21)31-14-16-32-17-15-31/h3-9,18-19,23H,10-17H2,1-2H3,(H,27,28,29)
InChIKeyWEGZCUJHBWGZNL-UHFFFAOYSA-N
XLogP4.46
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

N-(3-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101733
2-N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline-2,6-diamine
CID 89102571
N-(4-fluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101978
morpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone
CID 67102421
N-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide
CID 67102543
N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine
CID 169158095
N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide
CID 169158157
4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158202
4-(2-cyclopentyloxyphenoxy)-N-(2,6-dimethylphenyl)-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 11319545
N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine
CID 169158023
4-[2-[[3-(1-hydroxyethyl)-2H-indazol-6-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 122513550
N-phenyl-6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-amine
CID 66783817

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine (CID 67101585) is N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine is CC(C)N1CCC(Oc2cccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc23)CC1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine?
The InChIKey is WEGZCUJHBWGZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-19(2)30-12-10-23(11-13-30)33-24-5-3-4-20-18-27-26(29-25(20)24)28-21-6-8-22(9-7-21)31-14-16-32-17-15-31/h3-9,18-19,23H,10-17H2,1-2H3,(H,27,28,29).
What are the key properties of N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine?
N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine has a molecular weight of 447.58 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine is sourced from PubChem (CID 67101585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).