N-cyclopentyl-2-[3-[6-propan-2-yloxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide

C27H30N6O3 — CID 150547270

IUPACN-cyclopentyl-2-[3-[6-propan-2-yloxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide
SMILESCC(C)Oc1ccc2nc(-c3cccc(OCC(=O)NC4CCCC4)c3)nc(Nc3cn[nH]c3)c2c1
InChIInChI=1S/C27H30N6O3/c1-17(2)36-22-10-11-24-23(13-22)27(31-20-14-28-29-15-20)33-26(32-24)18-6-5-9-21(12-18)35-16-25(34)30-19-7-3-4-8-19/h5-6,9-15,17,19H,3-4,7-8,16H2,1-2H3,(H,28,29)(H,30,34)(H,31,32,33)
InChIKeyIHCYEAQTJPGEQY-UHFFFAOYSA-N
MW486.58 g/mol
LogP4.99
Rot. Bonds9

About N-cyclopentyl-2-[3-[6-propan-2-yloxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide

N-cyclopentyl-2-[3-[6-propan-2-yloxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide (PubChem CID 150547270) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-[6-propan-2-yloxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-[6-propan-2-yloxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide
PubChem CID150547270
Molecular FormulaC27H30N6O3
Molecular Weight486.58 g/mol
Exact Mass486.24
IUPAC NameN-cyclopentyl-2-[3-[6-propan-2-yloxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide
SMILESCC(C)Oc1ccc2nc(-c3cccc(OCC(=O)NC4CCCC4)c3)nc(Nc3cn[nH]c3)c2c1
InChIInChI=1S/C27H30N6O3/c1-17(2)36-22-10-11-24-23(13-22)27(31-20-14-28-29-15-20)33-26(32-24)18-6-5-9-21(12-18)35-16-25(34)30-19-7-3-4-8-19/h5-6,9-15,17,19H,3-4,7-8,16H2,1-2H3,(H,28,29)(H,30,34)(H,31,32,33)
InChIKeyIHCYEAQTJPGEQY-UHFFFAOYSA-N
XLogP4.99
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclobutyl-2-[3-[6-methyl-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide
CID 159077163
2-[3-[6-fluoro-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 151368304
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-[4-(1H-pyrazol-4-ylamino)-6-(2,2,2-trifluoroethoxy)quinazolin-2-yl]phenoxy]acetamide
CID 151931595
2-[4-[2-(1-aminoethyl)anilino]-2-pyridin-3-ylquinazolin-6-yl]oxy-N-cyclohexylacetamide
CID 135127900
N-cyclobutyl-2-[3-[4-[4-(1H-pyrazol-4-yl)anilino]thieno[2,3-d]pyrimidin-2-yl]phenoxy]acetamide
CID 138592837
N-[(2R)-butan-2-yl]-2-[3-[6-methoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide
CID 142464785
N-cyclobutyl-2-[3-[4-[4-(1H-pyrazol-4-yl)anilino]thieno[3,2-d]pyrimidin-2-yl]phenoxy]acetamide
CID 138592795
N-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide
CID 71179886
2-[3-[4-[(6-amino-3-pyridinyl)amino]-6-ethoxyquinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 152605303
2-[3-[6-ethoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]-N-propylacetamide
CID 146345847
N-cyclopentyl-2-[3-[9-methyl-6-[4-(1H-pyrazol-4-yl)anilino]purin-2-yl]phenoxy]acetamide
CID 138592802

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-[6-propan-2-yloxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide?
The IUPAC name of N-cyclopentyl-2-[3-[6-propan-2-yloxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide (CID 150547270) is N-cyclopentyl-2-[3-[6-propan-2-yloxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[3-[6-propan-2-yloxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide?
The canonical SMILES for N-cyclopentyl-2-[3-[6-propan-2-yloxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide is CC(C)Oc1ccc2nc(-c3cccc(OCC(=O)NC4CCCC4)c3)nc(Nc3cn[nH]c3)c2c1.
What is the InChIKey of N-cyclopentyl-2-[3-[6-propan-2-yloxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide?
The InChIKey is IHCYEAQTJPGEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-17(2)36-22-10-11-24-23(13-22)27(31-20-14-28-29-15-20)33-26(32-24)18-6-5-9-21(12-18)35-16-25(34)30-19-7-3-4-8-19/h5-6,9-15,17,19H,3-4,7-8,16H2,1-2H3,(H,28,29)(H,30,34)(H,31,32,33).
What are the key properties of N-cyclopentyl-2-[3-[6-propan-2-yloxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide?
N-cyclopentyl-2-[3-[6-propan-2-yloxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide has a molecular weight of 486.58 g/mol, XLogP of 4.99, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-[6-propan-2-yloxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 150547270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).