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

C24H26N6O3 — CID 153384256

IUPACN-tert-butyl-2-[3-[6-methoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide
SMILESCOc1ccc2nc(-c3cccc(OCC(=O)NC(C)(C)C)c3)nc(Nc3ccn[nH]3)c2c1
InChIInChI=1S/C24H26N6O3/c1-24(2,3)29-21(31)14-33-17-7-5-6-15(12-17)22-26-19-9-8-16(32-4)13-18(19)23(28-22)27-20-10-11-25-30-20/h5-13H,14H2,1-4H3,(H,29,31)(H2,25,26,27,28,30)
InChIKeyWEKPHHHUNGVWCX-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.07
Rot. Bonds7

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

N-tert-butyl-2-[3-[6-methoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide (PubChem CID 153384256) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-tert-butyl-2-[3-[6-methoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-[6-methoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide
PubChem CID153384256
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC NameN-tert-butyl-2-[3-[6-methoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide
SMILESCOc1ccc2nc(-c3cccc(OCC(=O)NC(C)(C)C)c3)nc(Nc3ccn[nH]3)c2c1
InChIInChI=1S/C24H26N6O3/c1-24(2,3)29-21(31)14-33-17-7-5-6-15(12-17)22-26-19-9-8-16(32-4)13-18(19)23(28-22)27-20-10-11-25-30-20/h5-13H,14H2,1-4H3,(H,29,31)(H2,25,26,27,28,30)
InChIKeyWEKPHHHUNGVWCX-UHFFFAOYSA-N
XLogP4.07
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-tert-butyl-2-[3-[6-methoxy-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-propoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide
CID 150018299
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-[7-fluoro-6-methoxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide
CID 151257628
N-tert-butyl-2-[3-[6-ethoxy-4-(4-morpholin-4-ylanilino)quinazolin-2-yl]phenoxy]acetamide
CID 150752796
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
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-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-cyclobutyloxy-4-[(1-iodophosphanylpyrazol-4-yl)amino]quinazolin-2-yl]phenoxy]acetamide
CID 174379748
N-[(2R)-butan-2-yl]-2-[3-[6-methoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide
CID 142464785
6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180169
N-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)pyrimidin-2-yl]phenoxy]acetamide
CID 166026366

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-[6-methoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[3-[6-methoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide (CID 153384256) is N-tert-butyl-2-[3-[6-methoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-[6-methoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-[6-methoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide is COc1ccc2nc(-c3cccc(OCC(=O)NC(C)(C)C)c3)nc(Nc3ccn[nH]3)c2c1.
What is the InChIKey of N-tert-butyl-2-[3-[6-methoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide?
The InChIKey is WEKPHHHUNGVWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-24(2,3)29-21(31)14-33-17-7-5-6-15(12-17)22-26-19-9-8-16(32-4)13-18(19)23(28-22)27-20-10-11-25-30-20/h5-13H,14H2,1-4H3,(H,29,31)(H2,25,26,27,28,30).
What are the key properties of N-tert-butyl-2-[3-[6-methoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide?
N-tert-butyl-2-[3-[6-methoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide has a molecular weight of 446.51 g/mol, XLogP of 4.07, 7 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-methoxy-4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 153384256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).