2-[4-[2-(1-aminoethyl)anilino]-2-pyridin-3-ylquinazolin-6-yl]oxy-N-cyclohexylacetamide

C29H32N6O2 — CID 135127900

IUPAC2-[4-[2-(1-aminoethyl)anilino]-2-pyridin-3-ylquinazolin-6-yl]oxy-N-cyclohexylacetamide
SMILESCC(N)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(OCC(=O)NC3CCCCC3)cc12
InChIInChI=1S/C29H32N6O2/c1-19(30)23-11-5-6-12-25(23)34-29-24-16-22(37-18-27(36)32-21-9-3-2-4-10-21)13-14-26(24)33-28(35-29)20-8-7-15-31-17-20/h5-8,11-17,19,21H,2-4,9-10,18,30H2,1H3,(H,32,36)(H,33,34,35)
InChIKeyROHVFOHWJVCSEA-UHFFFAOYSA-N
MW496.62 g/mol
LogP5.28
Rot. Bonds8

About 2-[4-[2-(1-aminoethyl)anilino]-2-pyridin-3-ylquinazolin-6-yl]oxy-N-cyclohexylacetamide

2-[4-[2-(1-aminoethyl)anilino]-2-pyridin-3-ylquinazolin-6-yl]oxy-N-cyclohexylacetamide (PubChem CID 135127900) has the molecular formula C29H32N6O2 and a molecular weight of 496.62 g/mol. Its IUPAC name is 2-[4-[2-(1-aminoethyl)anilino]-2-pyridin-3-ylquinazolin-6-yl]oxy-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-[2-(1-aminoethyl)anilino]-2-pyridin-3-ylquinazolin-6-yl]oxy-N-cyclohexylacetamide
PubChem CID135127900
Molecular FormulaC29H32N6O2
Molecular Weight496.62 g/mol
Exact Mass496.26
IUPAC Name2-[4-[2-(1-aminoethyl)anilino]-2-pyridin-3-ylquinazolin-6-yl]oxy-N-cyclohexylacetamide
SMILESCC(N)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(OCC(=O)NC3CCCCC3)cc12
InChIInChI=1S/C29H32N6O2/c1-19(30)23-11-5-6-12-25(23)34-29-24-16-22(37-18-27(36)32-21-9-3-2-4-10-21)13-14-26(24)33-28(35-29)20-8-7-15-31-17-20/h5-8,11-17,19,21H,2-4,9-10,18,30H2,1H3,(H,32,36)(H,33,34,35)
InChIKeyROHVFOHWJVCSEA-UHFFFAOYSA-N
XLogP5.28
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.62
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-(1-aminoethyl)anilino]-2-pyridin-3-ylquinazolin-6-yl]oxy-N-cyclohexylacetamide with MolForge

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Related Compounds

N-cyclohexyl-2-[3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide
CID 71179886
2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 67298170
N-cyclopentyl-2-[3-[6-propan-2-yloxy-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]acetamide
CID 150547270
2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 71180546
2-chloro-N-methylacetamide;2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide;2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 159635907
3-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-2-carboxamide
CID 71181121
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-cyclopropylbenzamide
CID 71181047
2-[[6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 71181238
N-methyl-2-[2-pyridin-3-yl-4-[3-(trifluoromethoxy)anilino]quinazolin-6-yl]oxyacetamide
CID 71180482
4-cyclohexyl-1-[4-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]butan-2-one
CID 144500433
N-cyclobutyl-2-[3-[6-methyl-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide
CID 159077163
N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 67298112

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1-aminoethyl)anilino]-2-pyridin-3-ylquinazolin-6-yl]oxy-N-cyclohexylacetamide?
The IUPAC name of 2-[4-[2-(1-aminoethyl)anilino]-2-pyridin-3-ylquinazolin-6-yl]oxy-N-cyclohexylacetamide (CID 135127900) is 2-[4-[2-(1-aminoethyl)anilino]-2-pyridin-3-ylquinazolin-6-yl]oxy-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-[2-(1-aminoethyl)anilino]-2-pyridin-3-ylquinazolin-6-yl]oxy-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-[2-(1-aminoethyl)anilino]-2-pyridin-3-ylquinazolin-6-yl]oxy-N-cyclohexylacetamide is CC(N)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(OCC(=O)NC3CCCCC3)cc12.
What is the InChIKey of 2-[4-[2-(1-aminoethyl)anilino]-2-pyridin-3-ylquinazolin-6-yl]oxy-N-cyclohexylacetamide?
The InChIKey is ROHVFOHWJVCSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2/c1-19(30)23-11-5-6-12-25(23)34-29-24-16-22(37-18-27(36)32-21-9-3-2-4-10-21)13-14-26(24)33-28(35-29)20-8-7-15-31-17-20/h5-8,11-17,19,21H,2-4,9-10,18,30H2,1H3,(H,32,36)(H,33,34,35).
What are the key properties of 2-[4-[2-(1-aminoethyl)anilino]-2-pyridin-3-ylquinazolin-6-yl]oxy-N-cyclohexylacetamide?
2-[4-[2-(1-aminoethyl)anilino]-2-pyridin-3-ylquinazolin-6-yl]oxy-N-cyclohexylacetamide has a molecular weight of 496.62 g/mol, XLogP of 5.28, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-aminoethyl)anilino]-2-pyridin-3-ylquinazolin-6-yl]oxy-N-cyclohexylacetamide is sourced from PubChem (CID 135127900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).