N-tert-butyl-2-[3-[6-propoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide

C26H30N6O3 — CID 150018299

IUPACN-tert-butyl-2-[3-[6-propoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide
SMILESCCCOc1ccc2nc(-c3cccc(OCC(=O)NC(C)(C)C)c3)nc(Nc3ccn[nH]3)c2c1
InChIInChI=1S/C26H30N6O3/c1-5-13-34-19-9-10-21-20(15-19)25(29-22-11-12-27-32-22)30-24(28-21)17-7-6-8-18(14-17)35-16-23(33)31-26(2,3)4/h6-12,14-15H,5,13,16H2,1-4H3,(H,31,33)(H2,27,28,29,30,32)
InChIKeyDESPCXVMBXPRKN-UHFFFAOYSA-N
MW474.57 g/mol
LogP4.85
Rot. Bonds9

About N-tert-butyl-2-[3-[6-propoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide

N-tert-butyl-2-[3-[6-propoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide (PubChem CID 150018299) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is N-tert-butyl-2-[3-[6-propoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-[6-propoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide
PubChem CID150018299
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC NameN-tert-butyl-2-[3-[6-propoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide
SMILESCCCOc1ccc2nc(-c3cccc(OCC(=O)NC(C)(C)C)c3)nc(Nc3ccn[nH]3)c2c1
InChIInChI=1S/C26H30N6O3/c1-5-13-34-19-9-10-21-20(15-19)25(29-22-11-12-27-32-22)30-24(28-21)17-7-6-8-18(14-17)35-16-23(33)31-26(2,3)4/h6-12,14-15H,5,13,16H2,1-4H3,(H,31,33)(H2,27,28,29,30,32)
InChIKeyDESPCXVMBXPRKN-UHFFFAOYSA-N
XLogP4.85
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-tert-butyl-2-[3-[6-propoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide 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-tert-butyl-2-[3-[6-ethoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide
CID 150772522
N-tert-butyl-2-[3-[6-methoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide
CID 153384256
N-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)-6-(2,2,2-trifluoroethoxy)quinazolin-2-yl]phenoxy]acetamide
CID 151931595
N-tert-butyl-2-[3-[6-ethoxy-4-(4-morpholin-4-ylanilino)quinazolin-2-yl]phenoxy]acetamide
CID 150752796
2-[3-[4-[[(E)-1-amino-3-ethyliminoprop-1-en-2-yl]amino]-6-ethoxyquinazolin-2-yl]phenoxy]-N-tert-butylacetamide
CID 166026359
N-tert-butyl-2-[3-[6-cyclopentyloxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 175821716
N-tert-butyl-2-[3-[6-cyclobutyloxy-4-[(1-iodophosphanylpyrazol-4-yl)amino]quinazolin-2-yl]phenoxy]acetamide
CID 174379748
N-tert-butyl-2-[3-[7-fluoro-6-methoxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide
CID 151257628
2-[3-[6-ethoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]-N-propylacetamide
CID 146345847
N-tert-butyl-2-[3-[6-methoxy-7-methyl-4-[(1-methylpyrazol-3-yl)amino]quinazolin-2-yl]phenoxy]acetamide;2,2,2-trifluoroacetic acid
CID 174242963
N-tert-butyl-2-[3-[6-ethoxy-5-fluoro-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide
CID 150912998
N-[(2S)-butan-2-yl]-2-[3-[6-(2-fluoroethoxy)-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide
CID 142464805

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-[6-propoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[3-[6-propoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide (CID 150018299) is N-tert-butyl-2-[3-[6-propoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-[6-propoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-[6-propoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide is CCCOc1ccc2nc(-c3cccc(OCC(=O)NC(C)(C)C)c3)nc(Nc3ccn[nH]3)c2c1.
What is the InChIKey of N-tert-butyl-2-[3-[6-propoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide?
The InChIKey is DESPCXVMBXPRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-5-13-34-19-9-10-21-20(15-19)25(29-22-11-12-27-32-22)30-24(28-21)17-7-6-8-18(14-17)35-16-23(33)31-26(2,3)4/h6-12,14-15H,5,13,16H2,1-4H3,(H,31,33)(H2,27,28,29,30,32).
What are the key properties of N-tert-butyl-2-[3-[6-propoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide?
N-tert-butyl-2-[3-[6-propoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide has a molecular weight of 474.57 g/mol, XLogP of 4.85, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-[6-propoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 150018299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).