2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynylacetamide

C26H20N6O2 — CID 11950700

IUPAC2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1
InChIInChI=1S/C26H20N6O2/c1-2-12-27-24(33)16-34-20-7-5-6-17(14-20)25-30-23-9-4-3-8-21(23)26(31-25)29-19-10-11-22-18(13-19)15-28-32-22/h1,3-11,13-15H,12,16H2,(H,27,33)(H,28,32)(H,29,30,31)
InChIKeyOIJMDJNPWMWIRN-UHFFFAOYSA-N
MW448.49 g/mol
LogP4.04
Rot. Bonds7

About 2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynylacetamide

2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynylacetamide (PubChem CID 11950700) has the molecular formula C26H20N6O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is 2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynylacetamide
PubChem CID11950700
Molecular FormulaC26H20N6O2
Molecular Weight448.49 g/mol
Exact Mass448.16
IUPAC Name2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1
InChIInChI=1S/C26H20N6O2/c1-2-12-27-24(33)16-34-20-7-5-6-17(14-20)25-30-23-9-4-3-8-21(23)26(31-25)29-19-10-11-22-18(13-19)15-28-32-22/h1,3-11,13-15H,12,16H2,(H,27,33)(H,28,32)(H,29,30,31)
InChIKeyOIJMDJNPWMWIRN-UHFFFAOYSA-N
XLogP4.04
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]acetamide
CID 59362002
2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 11950170
[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl] butanoate
CID 59361940
tert-butyl 3-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]anilino]-3-oxopropanoate
CID 141159376
ethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide
CID 90856959
2-(dimethylamino)-N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide
CID 59361917
ethyl (E)-3-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]prop-2-enoate
CID 162738751
N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-4-methylpiperazine-1-carboxamide
CID 11950701
2-[3-[4-(1H-indazol-5-ylamino)-6-methylpyrimidin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 118334773
2-[4-(dimethylamino)phenyl]-N-(1H-indazol-5-yl)quinazolin-4-amine
CID 10156619
2-[3-[4-(1H-indazol-5-ylamino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 155227874
N-(1H-indazol-5-yl)-2-[3-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-amine
CID 67135306

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynylacetamide (CID 11950700) is 2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynylacetamide is C#CCNC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1.
What is the InChIKey of 2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynylacetamide?
The InChIKey is OIJMDJNPWMWIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O2/c1-2-12-27-24(33)16-34-20-7-5-6-17(14-20)25-30-23-9-4-3-8-21(23)26(31-25)29-19-10-11-22-18(13-19)15-28-32-22/h1,3-11,13-15H,12,16H2,(H,27,33)(H,28,32)(H,29,30,31).
What are the key properties of 2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynylacetamide?
2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynylacetamide has a molecular weight of 448.49 g/mol, XLogP of 4.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynylacetamide is sourced from PubChem (CID 11950700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).