2-N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline-2,6-diamine

C26H34N6O2 — CID 89102571

IUPAC2-N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline-2,6-diamine
SMILESCC(C)N1CCC(Oc2cc(N)cc3cnc(Nc4ccc(N5CCOCC5)cc4)nc23)CC1
InChIInChI=1S/C26H34N6O2/c1-18(2)31-9-7-23(8-10-31)34-24-16-20(27)15-19-17-28-26(30-25(19)24)29-21-3-5-22(6-4-21)32-11-13-33-14-12-32/h3-6,15-18,23H,7-14,27H2,1-2H3,(H,28,29,30)
InChIKeyDDWDFTHGPFAXSM-UHFFFAOYSA-N
MW462.60 g/mol
LogP4.04
Rot. Bonds6

About 2-N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline-2,6-diamine

2-N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline-2,6-diamine (PubChem CID 89102571) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 2-N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline-2,6-diamine
PubChem CID89102571
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name2-N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline-2,6-diamine
SMILESCC(C)N1CCC(Oc2cc(N)cc3cnc(Nc4ccc(N5CCOCC5)cc4)nc23)CC1
InChIInChI=1S/C26H34N6O2/c1-18(2)31-9-7-23(8-10-31)34-24-16-20(27)15-19-17-28-26(30-25(19)24)29-21-3-5-22(6-4-21)32-11-13-33-14-12-32/h3-6,15-18,23H,7-14,27H2,1-2H3,(H,28,29,30)
InChIKeyDDWDFTHGPFAXSM-UHFFFAOYSA-N
XLogP4.04
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline-2,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101585
N-(3-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101733
morpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone
CID 67102421
N-(4-fluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101978
N-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide
CID 67102543
N-(4-methylsulfonylphenyl)-7-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67102202
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine
CID 58786809
6-cyclopropyl-N-(4-morpholin-4-ylphenyl)-7-[(3R)-pyrrolidin-3-yl]oxyquinazolin-2-amine
CID 70889660
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]pyrimidin-4-amine
CID 59507494
4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385710
CID 89175679
CID 89175679
morpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone
CID 59250205

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline-2,6-diamine?
The IUPAC name of 2-N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline-2,6-diamine (CID 89102571) is 2-N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline-2,6-diamine.
What is the SMILES notation for 2-N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline-2,6-diamine?
The canonical SMILES for 2-N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline-2,6-diamine is CC(C)N1CCC(Oc2cc(N)cc3cnc(Nc4ccc(N5CCOCC5)cc4)nc23)CC1.
What is the InChIKey of 2-N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline-2,6-diamine?
The InChIKey is DDWDFTHGPFAXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-18(2)31-9-7-23(8-10-31)34-24-16-20(27)15-19-17-28-26(30-25(19)24)29-21-3-5-22(6-4-21)32-11-13-33-14-12-32/h3-6,15-18,23H,7-14,27H2,1-2H3,(H,28,29,30).
What are the key properties of 2-N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline-2,6-diamine?
2-N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline-2,6-diamine has a molecular weight of 462.60 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline-2,6-diamine is sourced from PubChem (CID 89102571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).