morpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone

C27H33N5O3 — CID 67102421

IUPACmorpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone
SMILESCC(C)N1CCC(Oc2cccc3cnc(Nc4ccc(C(=O)N5CCOCC5)cc4)nc23)CC1
InChIInChI=1S/C27H33N5O3/c1-19(2)31-12-10-23(11-13-31)35-24-5-3-4-21-18-28-27(30-25(21)24)29-22-8-6-20(7-9-22)26(33)32-14-16-34-17-15-32/h3-9,18-19,23H,10-17H2,1-2H3,(H,28,29,30)
InChIKeyZDDOHTSEKDCUDQ-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.10
Rot. Bonds6

About morpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone

morpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone (PubChem CID 67102421) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is morpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone
PubChem CID67102421
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC Namemorpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone
SMILESCC(C)N1CCC(Oc2cccc3cnc(Nc4ccc(C(=O)N5CCOCC5)cc4)nc23)CC1
InChIInChI=1S/C27H33N5O3/c1-19(2)31-12-10-23(11-13-31)35-24-5-3-4-21-18-28-27(30-25(21)24)29-22-8-6-20(7-9-22)26(33)32-14-16-34-17-15-32/h3-9,18-19,23H,10-17H2,1-2H3,(H,28,29,30)
InChIKeyZDDOHTSEKDCUDQ-UHFFFAOYSA-N
XLogP4.10
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze morpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone 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

N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101585
N-(4-fluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101978
N-(3-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101733
N-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide
CID 67102543
2-N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline-2,6-diamine
CID 89102571
ethane;morpholin-4-yl-[4-[[8-piperidin-4-yloxy-5-(trifluoromethyl)quinazolin-2-yl]amino]phenyl]methanone
CID 143558608
[4-[(6-ethynyl-7-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 88954305
N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide
CID 169158157
N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine
CID 169158095
[4-(hydroxymethyl)piperidin-1-yl]-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
CID 67318259
6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 169158099
methyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109252166

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone (CID 67102421) is morpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone is CC(C)N1CCC(Oc2cccc3cnc(Nc4ccc(C(=O)N5CCOCC5)cc4)nc23)CC1.
What is the InChIKey of morpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone?
The InChIKey is ZDDOHTSEKDCUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-19(2)31-12-10-23(11-13-31)35-24-5-3-4-21-18-28-27(30-25(21)24)29-22-8-6-20(7-9-22)26(33)32-14-16-34-17-15-32/h3-9,18-19,23H,10-17H2,1-2H3,(H,28,29,30).
What are the key properties of morpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone?
morpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone has a molecular weight of 475.59 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone is sourced from PubChem (CID 67102421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).