N-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide

C27H35N5O2 — CID 67102543

IUPACN-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide
SMILESCC(C)NC(=O)Cc1ccc(Nc2ncc3cccc(OC4CCN(C(C)C)CC4)c3n2)cc1
InChIInChI=1S/C27H35N5O2/c1-18(2)29-25(33)16-20-8-10-22(11-9-20)30-27-28-17-21-6-5-7-24(26(21)31-27)34-23-12-14-32(15-13-23)19(3)4/h5-11,17-19,23H,12-16H2,1-4H3,(H,29,33)(H,28,30,31)
InChIKeyVGTWBDKHFLZIRJ-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.69
Rot. Bonds8

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

N-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide (PubChem CID 67102543) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide
PubChem CID67102543
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC NameN-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide
SMILESCC(C)NC(=O)Cc1ccc(Nc2ncc3cccc(OC4CCN(C(C)C)CC4)c3n2)cc1
InChIInChI=1S/C27H35N5O2/c1-18(2)29-25(33)16-20-8-10-22(11-9-20)30-27-28-17-21-6-5-7-24(26(21)31-27)34-23-12-14-32(15-13-23)19(3)4/h5-11,17-19,23H,12-16H2,1-4H3,(H,29,33)(H,28,30,31)
InChIKeyVGTWBDKHFLZIRJ-UHFFFAOYSA-N
XLogP4.69
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

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-(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
N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide
CID 169158157
2-N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline-2,6-diamine
CID 89102571
N-(4-methylsulfonylphenyl)-7-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67102202
1-[2-fluoro-5-[(8-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-3-methylbutan-1-one
CID 123252345
(2-methylpyrrolidin-1-yl)-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
CID 67317523
[4-(hydroxymethyl)piperidin-1-yl]-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
CID 67318259
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

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide (CID 67102543) is N-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide is CC(C)NC(=O)Cc1ccc(Nc2ncc3cccc(OC4CCN(C(C)C)CC4)c3n2)cc1.
What is the InChIKey of N-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide?
The InChIKey is VGTWBDKHFLZIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2/c1-18(2)29-25(33)16-20-8-10-22(11-9-20)30-27-28-17-21-6-5-7-24(26(21)31-27)34-23-12-14-32(15-13-23)19(3)4/h5-11,17-19,23H,12-16H2,1-4H3,(H,29,33)(H,28,30,31).
What are the key properties of N-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide?
N-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide has a molecular weight of 461.61 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 67102543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).